Target Binding Site Detail
Target General Information | Top | ||||
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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 |
Ligand General Information | Top | ||||
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Ligand Name | Glutathione | Ligand Info | |||
Canonical SMILES | C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N | ||||
InChI | 1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 | ||||
InChIKey | RWSXRVCMGQZWBV-WDSKDSINSA-N | ||||
PubChem Compound ID | 124886 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 6Y1E Crystal structure of human glutathione transferase P1-1 (hGSTP1-1) that was co-crystallised in the presence of indanyloxyacetic acid-94 (IAA-94) | ||||||
Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [1] |
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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PDB ID: 5DAL Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the presence of Glutathione | ||||||
Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [2] |
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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TYR7[A]
3.279
PHE8[A]
2.531
ARG13[A]
2.429
TRP38[A]
2.011
LYS44[A]
2.072
GLY50[A]
3.376
GLN51[A]
2.387
LEU52[A]
1.930
PRO53[A]
2.619
GLN64[A]
2.629
SER65[A]
1.982
ASN66[A]
4.093
TYR108[A]
4.603
ASP94[A]
4.682
ASP98[A]
2.222
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PDB ID: 6AP9 Crystal Structure of hGSTP1-1 with S-nitrosation of Cys101 | ||||||
Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [3] |
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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PDB ID: 7BIA Crystal structure of human GSTP1 bound to iberin | ||||||
Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [4] |
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 .GSH or .GSH2 or .GSH3 or :3GSH;style chemicals stick;color identity;select .A:8 or .A:9 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:98; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 5DJL Structure of WT Human Glutathione Transferase in complex with cisplatin in the presence of glutathione. | ||||||
Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [5] |
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 .GSH or .GSH2 or .GSH3 or :3GSH;style chemicals stick;color identity;select .A:7 or .A:8 or .A:10 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:108; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 13GS GLUTATHIONE S-TRANSFERASE COMPLEXED WITH SULFASALAZINE | ||||||
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 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 5JCW Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate | ||||||
Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [7] |
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:70 or .A:74 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:90; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 5DDL Crystal Structure of WT Human Glutathione Transferase Pi soaked with a metalloid then back-soaked with glutathione | ||||||
Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [8] |
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 .GSH or .GSH2 or .GSH3 or :3GSH;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:108; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 3DD3 Crystal Structure of the Glutathione Transferase Pi enzyme in complex with the bifunctional inhibitor, Etharapta | ||||||
Method | X-ray diffraction | Resolution | 2.25 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 .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; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 11GS Glutathione s-transferase complexed with ethacrynic acid-glutathione conjugate (form ii) | ||||||
Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [10] |
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 .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; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 5J41 Glutathione S-transferase bound with hydrolyzed Piperlongumine | ||||||
Method | X-ray diffraction | Resolution | 1.19 Å | Mutation | No | [11] |
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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PDB ID: 3GUS 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) | ||||||
Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [12] |
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; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 3CSH Crystal Structure of Glutathione Transferase Pi in complex with the Chlorambucil-Glutathione Conjugate | ||||||
Method | X-ray diffraction | Resolution | 1.55 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 .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; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 1AQW GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE | ||||||
Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [14] |
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; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 3IE3 Structural basis for the binding of the anti-cancer compound 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) to human glutathione S-transferases | ||||||
Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [12] |
PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYASLIYTN 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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PDB ID: 19GS Glutathione s-transferase p1-1 | ||||||
Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [6] |
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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 3CSI Crystal Structure of the Glutathione Transferase Pi allelic variant*C, I104V/A113V, in complex with the Chlorambucil-Glutathione Conjugate | ||||||
Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [13] |
PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYVSLIYTN 110 YEVGKDDYVK120 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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PDB ID: 3GSS HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE | ||||||
Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [15] |
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 .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; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 6GSS HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE | ||||||
Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [16] |
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 .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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PDB ID: 8GSS Human glutathione S-transferase P1-1, complex with glutathione | ||||||
Method | X-ray diffraction | Resolution | 1.90 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 .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; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 3HJO Crystal Structure of Glutathione Transferase Pi Y108V Mutant in Complex with the Glutathione Conjugate of Ethacrynic Acid | ||||||
Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [17] |
PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIVTN 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
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PDB ID: 5GSS HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE | ||||||
Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [16] |
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
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PDB ID: 1KBN Glutathione transferase mutant | ||||||
Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [18] |
PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQASF150 ADANLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
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PDB ID: 1MD3 A folding mutant of human class pi glutathione transferase, created by mutating glycine 146 of the wild-type protein to alanine | ||||||
Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [19] |
PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASCLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIYTNY 111 EAGKDDYVKA121 LPGQLKPFET131 LLSQNQGGKT141 FIVADQISFA151 DYNLLDLLLI 161 HEVLAPGCLD171 AFPLLSAYVG181 RLSARPKLKA191 FLASPEYVNL201 PINGNGKQ |
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Click to Show 3D Structure of This Binding Site
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PDB ID: 1PX7 A folding mutant of human class pi glutathione transferase, created by mutating aspartate 153 of the wild-type protein to glutamate | ||||||
Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [20] |
PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 AEYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
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PDB ID: 1MD4 A folding mutant of human class pi glutathione transferase, created by mutating glycine 146 of the wild-type protein to valine | ||||||
Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [19] |
PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASCLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIYTNY 111 EAGKDDYVKA121 LPGQLKPFET131 LLSQNQGGKT141 FIVVDQISFA151 DYNLLDLLLI 161 HEVLAPGCLD171 AFPLLSAYVG181 RLSARPKLKA191 FLASPEYVNL201 PINGNGKQ |
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Click to Show 3D Structure of This Binding Site
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PDB ID: 1PX6 A folding mutant of human class pi glutathione transferase, created by mutating aspartate 153 of the wild-type protein to asparagine | ||||||
Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [21] |
PDB Sequence |
PPYTVVYFPV
10 RGRCAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ANYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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Click to Show 3D Structure of This Binding Site
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PDB ID: 1ZGN Crystal Structure of the Glutathione Transferase Pi in Complex with Dinitrosyl-diglutathionyl Iron Complex | ||||||
Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [22] |
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
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PDB ID: 3KM6 Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate | ||||||
Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [23] |
PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASSLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIVTNY 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
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PDB ID: 7GSS Human glutathione S-transferase P1-1, complex with glutathione | ||||||
Method | X-ray diffraction | Resolution | 2.20 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
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PDB ID: 3KMO Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent DTT) | ||||||
Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [24] |
PDB Sequence |
PYTVVYFPVR
11 GRCAALRMLL21 ADQGQSWKEE31 VVTVETWQEG41 SLKASSLYGQ51 LPKFQDGDLT 61 LYQSNTILRH71 LGRTLGLYGK81 DQQEAALVDM91 VNDGVEDLRC101 KYISLIVTNY 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
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PDB ID: 1LBK Crystal structure of a recombinant glutathione transferase, created by replacing the last seven residues of each subunit of the human class pi isoenzyme with the additional C-terminal helix of human class alpha isoenzyme | ||||||
Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [25] |
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 LPMDEKSL |
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Click to Show 3D Structure of This Binding Site
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PDB ID: 6LLX Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma | ||||||
Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [26] |
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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References | Top | ||||
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REF 1 | The interaction of IAA-94 with the soluble conformation of the CLIC1 protein and its structural homolog hGSTP1-1 | ||||
REF 2 | Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics | ||||
REF 3 | Cysteine S-nitrosylation of hGSTP1-1 by nitric oxide (NO)-releasing prodrugs | ||||
REF 4 | Role of human salivary enzymes in bitter taste perception. Food Chem. 2022 Aug 30;386:132798. | ||||
REF 5 | A structure-based mechanism of cisplatin resistance mediated by Glutathione Transferase P1-1 | ||||
REF 6 | 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 7 | Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical. PLoS One. 2016 Sep 29;11(9):e0163821. | ||||
REF 8 | Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics | ||||
REF 9 | Rational design of an organometallic glutathione transferase inhibitor. Angew Chem Int Ed Engl. 2009;48(21):3854-7. | ||||
REF 10 | The glutathione conjugate of ethacrynic acid can bind to human pi class glutathione transferase P1-1 in two different modes. FEBS Lett. 1997 Dec 8;419(1):32-6. | ||||
REF 11 | 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 12 | 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 13 | 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 14 | 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 15 | The three-dimensional structure of the human Pi class glutathione transferase P1-1 in complex with the inhibitor ethacrynic acid and its glutathione conjugate. Biochemistry. 1997 Jan 21;36(3):576-85. | ||||
REF 16 | 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 17 | Influence of the H-site residue 108 on human glutathione transferase P1-1 ligand binding: structure-thermodynamic relationships and thermal stability. Protein Sci. 2009 Dec;18(12):2454-70. | ||||
REF 18 | Crystal Structure of Glutathione transferase mutant | ||||
REF 19 | Contribution of glycine 146 to a conserved folding module affecting stability and refolding of human glutathione transferase p1-1. J Biol Chem. 2003 Jan 10;278(2):1291-302. | ||||
REF 20 | The multi-functional role of a highly conserved aspartic acid residue in glutathione transferase P1-1 | ||||
REF 21 | The multi-functional role of a highly conserved aspartic acid residue in glutathione transferase P1-1 | ||||
REF 22 | 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 23 | Diuretic drug binding to human glutathione transferase P1-1: potential role of Cys-101 revealed in the double mutant C47S/Y108V. J Mol Recognit. 2011 Mar-Apr;24(2):220-34. | ||||
REF 24 | Diuretic drug binding to human glutathione transferase P1-1: potential role of CYS101 revealed in the double mutant C47S/Y108V | ||||
REF 25 | Engineering a new C-terminal tail in the H-site of human glutathione transferase P1-1: structural and functional consequences. J Mol Biol. 2003 Jan 3;325(1):111-22. | ||||
REF 26 | Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma. J Hematol Oncol. 2020 Oct 21;13(1):141. |
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