Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T21669 | Target Info | |||
| Target Name | Glutathione S-transferase P (GSTP1) | ||||
| Synonyms | GSTP11; GSTP1-1; GST3; GST classpi; GST class-pi; FAEES3 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GSTP1 | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Ethacrynic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the glutathione transferase PI enzyme in complex with the bifunctional inhibitor, etharapta | PDB:3DGQ | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [1] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYISLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Sulfasalazine | Ligand Info | |||||
| Structure Description | GLUTATHIONE S-TRANSFERASE COMPLEXED WITH SULFASALAZINE | PDB:13GS | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYISLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
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| Ligand Name: Glutathione | Ligand Info | |||||
| Structure Description | Glutathione S-transferase bound with hydrolyzed Piperlongumine | PDB:5J41 | ||||
| Method | X-ray diffraction | Resolution | 1.19 Å | Mutation | No | [3] |
| PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GSH or .GSH2 or .GSH3 or :3GSH;style chemicals stick;color identity;select .A:7 or .A:8 or .A:13 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:97; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Nitric oxide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Glutathione Transferase Pi in Complex with Dinitrosyl-diglutathionyl Iron Complex | PDB:1ZGN | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASCLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIYTNY 111 EAGKDDYVKA121 LPGQLKPFET131 LLSQNQGGKT141 FIVGDQISFA151 DYNLLDLLLI 161 HEVLAPGCLD171 AFPLLSAYVG181 RLSARPKLKA191 FLASPEYVNL201 PINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NO or .NO2 or .NO3 or :3NO;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:12 or .A:13 or .A:104 or .A:108 or .A:204 or .A:205; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: INCB13739 | Ligand Info | |||||
| Structure Description | Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the presence of Glutathione | PDB:5DAL | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
MPPYTVVYFP 9 VRGRAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ > Chain B PPYTVVYFPV 10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PA0 or .PA02 or .PA03 or :3PA0;style chemicals stick;color identity;select .A:13 or .A:101 or .A:102 or .A:104 or .A:105 or .A:108 or .A:109 or .A:101 or .A:102 or .B:101 or .B:102 or .B:13 or .B:97 or .B:100 or .B:101 or .B:102 or .B:104 or .B:105 or .B:108 or .B:109; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG13[A]
3.424
CYS101[A]
2.646
LYS102[A]
4.868
ILE104[A]
2.709
SER105[A]
2.650
TYR108[A]
4.853
THR109[A]
3.995
CYS101[A]
3.497
LYS102[A]
3.402
CYS101[B]
3.521
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| Ligand Name: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the presence of Glutathione | PDB:5DAL | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [5] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:5 or .A:7 or .A:11 or .A:12 or .A:13 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:53 or .A:55 or .A:65 or .A:68; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: S-hexylglutathione | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH S-HEXYLGLUTATHIONE | PDB:1PGT | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [6] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYVSLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GTX or .GTX2 or .GTX3 or :3GTX;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:13 or .A:35 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:108 or .A:205; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cibacron blue | Ligand Info | |||||
| Structure Description | GLUTATHIONE S-TRANSFERASE P1-1 COMPLEXED WITH CIBACRON BLUE | PDB:20GS | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [2] |
| PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASCLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIYTNY 111 EAGKDDYVKA121 LPGQLKPFET131 LLSQNQGGKT141 FIVGDQISFA151 DYNLLDLLLI 161 HEVLAPGCLD171 AFPLLSAYVG181 RLSARPKLKA191 FLASPEYVNL201 PINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CBD or .CBD2 or .CBD3 or :3CBD;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:13 or .A:51 or .A:104 or .A:108 or .A:204 or .A:205; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: S-hexylglutathione | Ligand Info | |||||
| Structure Description | THREE-DIMENSIONAL STRUCTURE OF CLASS PI GLUTATHIONE S-TRANSFERASE FROM HUMAN PLACENTA IN COMPLEX WITH S-HEXYLGLUTATHIONE AT 2.8 ANGSTROMS RESOLUTION | PDB:1GSS | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [7] |
| PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE39A GSLKASCLYG48 QLPKFQDGDL 58 TLYQSNTILR68 HLGRTLGLYG78 KDQQEAALVD88 MVNDGVEDLR98 CKYISLIYTN 108 YEAGKDDYVK118 ALPGQLKPFE128 TLLSQNQGGK138 TFIVGDQISF148 ADYNLLDLLL 158 IHEVLAPGCL168 DAFPLLSAYV178 GRLSARPKLK188 AFLASPEYVN198 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LEE or .LEE2 or .LEE3 or :3LEE;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:13 or .A:35 or .A:38 or .A:42 or .A:48 or .A:49 or .A:50 or .A:51 or .A:62 or .A:63 or .A:64 or .A:106 or .A:202; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (R)-2-((6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)acetic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human glutathione transferase P1-1 (hGSTP1-1) that was co-crystallised in the presence of indanyloxyacetic acid-94 (IAA-94) | PDB:6Y1E | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [8] |
| PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O7Z or .O7Z2 or .O7Z3 or :3O7Z;style chemicals stick;color identity;select .A:142 or .A:146 or .A:147 or .A:148 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Amino-5-[1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]amino-5-oxo-pentanoate | Ligand Info | |||||
| Structure Description | Crystal Structure of Glutathione Transferase Pi in complex with S-nitrosoglutathione | PDB:2A2R | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [9] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYISLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GSN or .GSN2 or .GSN3 or :3GSN;style chemicals stick;color identity;select .A:7 or .A:8 or .A:13 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:97 or .A:104 or .A:108; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Di-Glutathione-Phenylarsine | Ligand Info | |||||
| Structure Description | Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the presence of Glutathione | PDB:5DAL | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
MPPYTVVYFP 9 VRGRAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ > Chain B PPYTVVYFPV 10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5AU or .5AU2 or .5AU3 or :35AU;style chemicals stick;color identity;select .A:7 or .A:8 or .A:9 or .A:10 or .A:12 or .A:13 or .A:35 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:101 or .A:104 or .A:108 or .A:204 or .A:205 or .A:94 or .A:98 or .A:102 or .B:94 or .B:98 or .B:7 or .B:8 or .B:9 or .B:10 or .B:12 or .B:13 or .B:35 or .B:38 or .B:44 or .B:50 or .B:51 or .B:52 or .B:53 or .B:64 or .B:65 or .B:66 or .B:97 or .B:104 or .B:108 or .B:205; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR7[A]
2.530
PHE8[A]
2.334
PRO9[A]
3.757
VAL10[A]
2.057
GLY12[A]
4.285
ARG13[A]
1.904
VAL35[A]
2.966
TRP38[A]
2.109
LYS44[A]
1.686
GLY50[A]
3.723
GLN51[A]
1.990
LEU52[A]
1.538
PRO53[A]
2.677
GLN64[A]
2.062
SER65[A]
2.143
ASN66[A]
3.621
CYS101[A]
4.871
ILE104[A]
2.466
TYR108[A]
3.103
ASN204[A]
4.555
GLY205[A]
3.066
ASP94[A]
4.212
ASP98[A]
2.472
LYS102[A]
4.815
ASP94[B]
4.333
ASP98[B]
2.334
TYR7[B]
2.534
PHE8[B]
1.992
PRO9[B]
3.896
VAL10[B]
2.234
GLY12[B]
4.378
ARG13[B]
1.905
VAL35[B]
3.087
TRP38[B]
2.249
LYS44[B]
1.907
GLY50[B]
3.541
GLN51[B]
2.130
LEU52[B]
1.593
PRO53[B]
2.703
GLN64[B]
2.030
SER65[B]
1.737
ASN66[B]
3.745
GLU97[B]
4.483
ILE104[B]
2.633
TYR108[B]
3.017
GLY205[B]
2.656
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2S)-2-azaniumyl-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate | Ligand Info | |||||
| Structure Description | Crystal Structure of hGSTP1-1 with S-nitrosation of Cys101 | PDB:6AP9 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [10] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYISLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDS or .GDS2 or .GDS3 or :3GDS;style chemicals stick;color identity;select .A:7 or .A:8 or .A:13 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:97 or .A:101 or .A:104 or .A:105 or .A:108 or .A:109; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: S-Nitrosocysteine | Ligand Info | |||||
| Structure Description | Crystal Structure of hGSTP1-1 with S-nitrosation of Cys101 | PDB:6AP9 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [10] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYISLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SNC or .SNC2 or .SNC3 or :3SNC;style chemicals stick;color identity;select .A:13 or .A:96 or .A:97 or .A:98 or .A:99 or .A:100 or .A:101 or .A:102 or .A:103 or .A:104 or .A:105; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[3-[(R)-methylsulfinyl]propyl]methanethioamide | Ligand Info | |||||
| Structure Description | Crystal structure of human GSTP1 bound to iberin | PDB:7BIA | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [11] |
| PDB Sequence |
MPPYTVVYFP
10 VRGRCAALRM20 LLADQGQSWK30 EEVVTVETWQ40 EGSLKASCLY50 GQLPKFQDGD 60 LTLYQSNTIL70 RHLGRTLGLY80 GKDQQEAALV90 DMVNDGVEDL100 RCKYISLIYT 110 NYEAGKDDYV120 KALPGQLKPF130 ETLLSQNQGG140 KTFIVGDQIS150 FADYNLLDLL 160 LIHEVLAPGC170 LDAFPLLSAY180 VGRLSARPKL190 KAFLASPEYV200 NLPINGNGKQ 210
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TVQ or .TVQ2 or .TVQ3 or :3TVQ;style chemicals stick;color identity;select .A:14 or .A:105 or .A:109 or .A:110; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (9R,10R)-9-(S-Glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE | PDB:2PGT | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [6] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYVSLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GPR or .GPR2 or .GPR3 or :3GPR;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:13 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:104 or .A:108 or .A:204 or .A:205; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: gammaGlu-S-(2-Fluorosulfonylethyl)-L-Cys-Gly-OH | Ligand Info | |||||
| Structure Description | Human GST Pi conjugated with novel inhibitor, GS-ESF | PDB:5X79 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [12] |
| PDB Sequence |
MPPYTVVYFP
10 VRGRCAALRM20 LLADQGQSWK30 EEVVTVETWQ40 EGSLKASCLY50 GQLPKFQDGD 60 LTLYQSNTIL70 RHLGRTLGLY80 GKDQQEAALV90 DMVNDGVEDL100 RCKYISLIYT 110 NYEAGKDDYV120 KALPGQLKPF130 ETLLSQNQGG140 KTFIVGDQIS150 FADYNLLDLL 160 LIHEVLAPGC170 LDAFPLLSAY180 VGRLSARPKL190 KAFLASPEYV200 NLPINGNGKQ 210
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GF5 or .GF52 or .GF53 or :3GF5;style chemicals stick;color identity;select .A:8 or .A:9 or .A:11 or .A:13 or .A:14 or .A:39 or .A:45 or .A:51 or .A:52 or .A:53 or .A:54 or .A:65 or .A:66 or .A:67 or .A:105 or .A:109 or .A:204 or .A:205 or .A:206; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: S-(2,4-dinitrophenyl)glutathione | Ligand Info | |||||
| Structure Description | GLUTATHIONE S-TRANSFERASE P1-1 COMPLEXED WITH 1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE | PDB:18GS | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASCLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIYTNY 111 EAGKDDYVKA121 LPGQLKPFET131 LLSQNQGGKT141 FIVGDQISFA151 DYNLLDLLLI 161 HEVLAPGCLD171 AFPLLSAYVG181 RLSARPKLKA191 FLASPEYVNL201 PINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDN or .GDN2 or .GDN3 or :3GDN;style chemicals stick;color identity;select .A:7 or .A:8 or .A:13 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:104 or .A:105 or .A:108 or .A:109; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: L-Gamma-Glutamyl-S-[(2-Phenylethyl)carbamothioyl]-L-Cysteinylglycine | Ligand Info | |||||
| Structure Description | Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate | PDB:5JCW | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [13] |
| PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GVX or .GVX2 or .GVX3 or :3GVX;style chemicals stick;color identity;select .A:7 or .A:8 or .A:12 or .A:13 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:97 or .A:104 or .A:108; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydro-benzo[def]chrysen-10-ylsulfanyl)-ethylcarbamoyl]-butyric acid | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | PDB:4PGT | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [14] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RKYVSLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GBX or .GBX2 or .GBX3 or :3GBX;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:12 or .A:13 or .A:35 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:104 or .A:108 or .A:204 or .A:205 or .A:206; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-Gamma-Glutamyl-S-Nonyl-L-Cysteinylglycine | Ligand Info | |||||
| Structure Description | GLUTATHIONE S-TRANSFERASE COMPLEXED WITH S-NONYL-GLUTATHIONE | PDB:12GS | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASCLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIYTNY 111 EAGKDDYVKA121 LPGQLKPFET131 LLSQNQGGKT141 FIVGDQISFA151 DYNLLDLLLI 161 HEVLAPGCLD171 AFPLLSAYVG181 RLSARPKLKA191 FLASPEYVNL201 PINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0HH or .0HH2 or .0HH3 or :30HH;style chemicals stick;color identity;select .A:7 or .A:8 or .A:9 or .A:10 or .A:13 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:97 or .A:108 or .A:205; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Arsenic | Ligand Info | |||||
| Structure Description | Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the absence of Glutathione | PDB:5DAK | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [15] |
| PDB Sequence |
> Chain A
MPPYTVVYFP 9 VRGRCAALRM19 LLADQGQSWK29 EEVVTQLPKF55 QDGDLTLYQS65 NTILRHLGRT 75 LGLYGKDQQE85 AALVDMVNDG95 VEDLRCKYIS105 LIYTNYEAGK115 DDYVKALPGQ 125 LKPFETLLSQ135 NQGGKTFIVG145 DQISFADYNL155 LDLLLIHEVL165 APGCLDAFPL 175 LSAYVGRLSA185 RPKLKAFLAS195 PEYVNLPING205 NGKQ> Chain B PPYTVVYFPV 10 RGRAALRMLL21 ADQGQSWKEE31 VVTQLPKFQD57 GDLTLYQSNT67 ILRHLGRTLG 77 LYGKDQQEAA87 LVDMVNDGVE97 DLRCKYISLI107 YTNYEAGKDD117 YVKALPGQLK 127 PFETLLSQNQ137 GGKTFIVGDQ147 ISFADYNLLD157 LLLIHEVLAP167 GCLDAFPLLS 177 AYVGRLSARP187 KLKAFLASPE197 YVNLPINGNG207 KQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ARS or .ARS2 or .ARS3 or :3ARS;style chemicals stick;color identity;select .A:98 or .A:101 or .A:102 or .B:98 or .B:101 or .B:102 or .B:105; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: S-(2-{[N-(2-Hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) decanethioate | Ligand Info | |||||
| Structure Description | Crystal Structure of the Glutathione Transferase Pi enzyme in complex with the bifunctional inhibitor, Etharapta | PDB:3DD3 | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [1] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYISLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RUC or .RUC2 or .RUC3 or :3RUC;style chemicals stick;color identity;select .A:13 or .A:97 or .A:101; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-(3,4,5-Trimethoxyphenyl)propanoic acid | Ligand Info | |||||
| Structure Description | Glutathione S-transferase bound with hydrolyzed Piperlongumine | PDB:5J41 | ||||
| Method | X-ray diffraction | Resolution | 1.19 Å | Mutation | No | [3] |
| PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3LF or .3LF2 or .3LF3 or :33LF;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:12 or .A:13 or .A:35 or .A:104 or .A:108 or .A:204 or .A:205; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-[(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)sulfanyl]hexan-1-Ol | Ligand Info | |||||
| Structure Description | Crystal strcture of human Pi class glutathione S-transferase GSTP1-1 in complex with 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) | PDB:3GUS | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [16] |
| PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N11 or .N112 or .N113 or :3N11;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:13 or .A:35 or .A:38 or .A:39 or .A:104 or .A:108 or .A:205; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-Gamma-Glutamyl-S-(2-{[4-(3-Carboxypropyl)phenyl](2-Chloroethyl)amino}ethyl)-L-Cysteinylglycine | Ligand Info | |||||
| Structure Description | Crystal Structure of Glutathione Transferase Pi in complex with the Chlorambucil-Glutathione Conjugate | PDB:3CSH | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [17] |
| PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZ6 or .LZ62 or .LZ63 or :3LZ6;style chemicals stick;color identity;select .A:7 or .A:8 or .A:9 or .A:10 or .A:13 or .A:35 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:97 or .A:108 or .A:202 or .A:204 or .A:205 or .A:206 or .A:207; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR7
4.051
PHE8
3.518
PRO9
3.607
VAL10
3.721
ARG13
3.210
VAL35
3.421
TRP38
2.954
LYS44
2.768
GLY50
3.986
GLN51
2.921
LEU52
2.861
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Bromosulfophthalein(2-) | Ligand Info | |||||
| Structure Description | Glutathione s-transferase p1-1 | PDB:19GS | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASCLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIYTNY 111 EAGKDDYVKA121 LPGQLKPFET131 LLSQNQGGKT141 FIVGDQISFA151 DYNLLDLLLI 161 HEVLAPGCLD171 AFPLLSAYVG181 RLSARPKLKA191 FLASPEYVNL201 PINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BSP or .BSP2 or .BSP3 or :3BSP;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:35 or .A:38 or .A:39 or .A:108 or .A:205; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(4s)-4-Ammonio-4-Carboxybutanoyl]-S-(4-Bromobenzyl)-L-Cysteinylglycine | Ligand Info | |||||
| Structure Description | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH P-BROMOBENZYLGLUTATHIONE | PDB:1AQV | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [18] |
| PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0HG or .0HG2 or .0HG3 or :30HG;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:13 or .A:35 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:97 or .A:108 or .A:205; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: L-Gamma-Glutamyl-S-Benzyl-N-[(S)-Carboxy(Phenyl)methyl]-L-Cysteinamide | Ligand Info | |||||
| Structure Description | HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH TER117 | PDB:10GS | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [19] |
| PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASCLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIYTNY 111 EAGKDDYVKA121 LPGQLKPFET131 LLSQNQGGKT141 FIVGDQISFA151 DYNLLDLLLI 161 HEVLAPGCLD171 AFPLLSAYVG181 RLSARPKLKA191 FLASPEYVNL201 PINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VWW or .VWW2 or .VWW3 or :3VWW;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:13 or .A:35 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:108 or .A:205; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: S-[N-(ferrocenylmethyl)carbamoylmethyl]-glutathione | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HGSTP1-1 COMPLEXED WITH FERROCENE-GLUTATHIONE CONJUGATE | PDB:5L6X | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [20] |
| PDB Sequence |
MAPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYISLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6SG or .6SG2 or .6SG3 or :36SG;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:13 or .A:35 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:64 or .A:65 or .A:66 or .A:97 or .A:108 or .A:205; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE | Ligand Info | |||||
| Structure Description | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX | PDB:1AQX | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [18] |
| PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASCLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIYTNY 111 EAGKDDYVKA121 LPGQLKPFET131 LLSQNQGGKT141 FIVGDQISFA151 DYNLLDLLLI 161 HEVLAPGCLD171 AFPLLSAYVG181 RLSARPKLKA191 FLASPEYVNL201 PINGNGKQ |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GTD or .GTD2 or .GTD3 or :3GTD;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 or .A:12 or .A:13 or .A:35 or .A:38 or .A:44 or .A:50 or .A:51 or .A:52 or .A:53 or .A:63 or .A:64 or .A:65 or .A:66 or .A:104 or .A:108 or .A:203 or .A:204 or .A:205; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Rational design of an organometallic glutathione transferase inhibitor. Angew Chem Int Ed Engl. 2009;48(21):3854-7. | ||||
| REF 2 | The ligandin (non-substrate) binding site of human Pi class glutathione transferase is located in the electrophile binding site (H-site). J Mol Biol. 1999 Aug 27;291(4):913-26. | ||||
| REF 3 | Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine. J Biol Chem. 2017 Jan 6;292(1):112-120. | ||||
| REF 4 | Nitrosylation of human glutathione transferase P1-1 with dinitrosyl diglutathionyl iron complex in vitro and in vivo. J Biol Chem. 2005 Dec 23;280(51):42172-80. | ||||
| REF 5 | Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics | ||||
| REF 6 | Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase. Biochemistry. 1997 Aug 12;36(32):9690-702. | ||||
| REF 7 | Three-dimensional structure of class pi glutathione S-transferase from human placenta in complex with S-hexylglutathione at 2.8 A resolution. J Mol Biol. 1992 Sep 5;227(1):214-26. | ||||
| REF 8 | The interaction of IAA-94 with the soluble conformation of the CLIC1 protein and its structural homolog hGSTP1-1 | ||||
| REF 9 | Calorimetric and structural studies of the nitric oxide carrier S-nitrosoglutathione bound to human glutathione transferase P1-1. Protein Sci. 2006 May;15(5):1093-105. | ||||
| REF 10 | Cysteine S-nitrosylation of hGSTP1-1 by nitric oxide (NO)-releasing prodrugs | ||||
| REF 11 | Role of human salivary enzymes in bitter taste perception. Food Chem. 2022 Aug 30;386:132798. | ||||
| REF 12 | A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP(1-1)). Chem Commun (Camb). 2017 Oct 10;53(81):11138-11141. | ||||
| REF 13 | Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical. PLoS One. 2016 Sep 29;11(9):e0163821. | ||||
| REF 14 | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1. Biochemistry. 1999 Aug 10;38(32):10231-8. | ||||
| REF 15 | Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics | ||||
| REF 16 | Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases. Cancer Res. 2009 Oct 15;69(20):8025-34. | ||||
| REF 17 | The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants. J Mol Biol. 2008 Jun 27;380(1):131-44. | ||||
| REF 18 | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure. 1997 Oct 15;5(10):1287-95. | ||||
| REF 19 | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution. J Mol Biol. 1997 Nov 21;274(1):84-100. | ||||
| REF 20 | CRYSTAL STRUCTURE OF HGSTP1-1 COMPLEXED WITH FERROCENE-GLUTATHIONE CONJUGATE | ||||
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