Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T42822 | Target Info | |||
| Target Name | Ferrochelatase (FECH) | ||||
| Synonyms | Protoheme ferro-lyase; Heme synthetase; FECH | ||||
| Target Type | Successful Target | ||||
| Gene Name | FECH | ||||
| Biochemical Class | Ferrochelatase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Salicyclic acid | Ligand Info | |||||
| Structure Description | Protein-drug complex | PDB:3W1W | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [1] |
| PDB Sequence |
RKPKTGILML
74 NMGGPETLGD84 VHDFLLRLFL94 DRDLMTLPIQ104 NKLAPFIAKR114 LTPKIQEQYR 124 RIGGGSPIKI134 WTSKQGEGMV144 KLLDELSPNT154 APHKYYIGFR164 YVHPLTEEAI 174 EEMERDGLER184 AIAFTQYPQY194 SCSTTGSSLN204 AIYRYYNQVG214 RKPTMKWSTI 224 DRWPTHHLLI234 QCFADHILKE244 LDHFPLEKRS254 EVVILFSAHS264 LPMSVVNRGD 274 PYPQEVSATV284 QKVMERLEYC294 NPYRLVWQSK304 VGPMPWLGPQ314 TDESIKGLCE 324 RGRKNILLVP334 IAFTSDHIET344 LYELDIEYSQ354 VLAKECGVEN364 IRRAESLNGN 374 PLFSKALADL384 VHSHIQSNEL394 CSKQLTLSCP404 LCVNPVCRET414 KSFFTSQQL |
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| Ligand Name: Cholic acid | Ligand Info | |||||
| Structure Description | Hg and protoporphyrin bound Human Ferrochelatase | PDB:3HCN | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
RKPKTGILML
74 NMGGPETLGD84 VHDFLLRLFL94 DRDLMTLPIQ104 NKLAPFIAKR114 RTPKIQEQYR 124 RIGGGSPIKI134 WTSKQGEGMV144 KLLDELSPNT154 APHKYYIGFR164 YVHPLTEEAI 174 EEMERDGLER184 AIAFTQYPQY194 SCSTTGSSLN204 AIYRYYNQVG214 RKPTMKWSTI 224 DRWPTHHLLI234 QCFADHILKE244 LDHFPLEKRS254 EVVILFSAHS264 LPMSVVNRGD 274 PYPQEVSATV284 QKVMERLEYC294 NPYRLVWQSK304 VGPMPWLGPQ314 TDESIKGLCE 324 RGRKNILLVP334 IAFTSDHIET344 LYELDIEYSQ354 VLAKECGVEN364 IRRAESLNGN 374 PLFSKALADL384 VHSHIQSNEL394 CSKQLTLSCP404 LCVNPVCRET414 KSFFTSQQL |
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Protoporphyrin IX | Ligand Info | |||||
| Structure Description | 2.2 Angstrom Structure of the human ferrochelatase variant E343K with substrate bound | PDB:2QD1 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [3] |
| PDB Sequence |
RKPKTGILML
74 NMGGPETLGD84 VHDFLLRLFL94 DRDLMTLPIQ104 NKLAPFIAKR114 RTPKIQEQYR 124 RIGGGSPIKI134 WTSKQGEGMV144 KLLDELSPNT154 APHKYYIGFR164 YVHPLTEEAI 174 EEMERDGLER184 AIAFTQYPQY194 SCSTTGSSLN204 AIYRYYNQVG214 RKPTMKWSTI 224 DRWPTHHLLI234 QCFADHILKE244 LDHFPLEKRS254 EVVILFSAHS264 LPMSVVNRGD 274 PYPQEVSATV284 QKVMERLEYC294 NPYRLVWQSK304 VGPMPWLGPQ314 TDESIKGLCE 324 RGRKNILLVP334 IAFTSDHIKT344 LYELDIEYSQ354 VLAKECGVEN364 IRRAESLNGN 374 PLFSKALADL384 VHSHIQSNEL394 CSKQLTLSCP404 LCVNPVCRET414 KSFFTSQQL |
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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 .PP9 or .PP92 or .PP93 or :3PP9;style chemicals stick;color identity;select .A:75 or .A:76 or .A:77 or .A:78 or .A:88 or .A:89 or .A:92 or .A:93 or .A:98 or .A:99 or .A:115 or .A:119 or .A:122 or .A:123 or .A:130 or .A:132 or .A:191 or .A:197 or .A:198 or .A:263 or .A:264 or .A:265 or .A:266 or .A:276 or .A:305 or .A:310 or .A:336 or .A:337 or .A:341 or .A:342 or .A:343; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN75
3.727
MET76
3.227
GLY77
3.561
GLY78
3.660
PHE88
3.578
LEU89
3.724
LEU92
3.395
PHE93
3.767
LEU98
3.237
MET99
3.776
ARG115
2.475
ILE119
3.013
GLN122
4.752
TYR123
2.672
SER130
2.645
ILE132
3.828
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(4-tert-butylphenyl)-5-[(quinolin-2-ylamino)methyl]-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one | Ligand Info | |||||
| Structure Description | FECH - inhibitor complex 1 | PDB:7CTC | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [4] |
| PDB Sequence |
RKPKTGILML
74 NMGGPETLGD84 VHDFLLRLFL94 DRDLMTLPIQ104 NKLAPFIAKR114 LTPKIQEQYR 124 RIGGGSPIKI134 WTSKQGEGMV144 KLLDELSPNT154 APHKYYIGFR164 YVHPLTEEAI 174 EEMERDGLER184 AIAFTQYPQY194 SCSTTGSSLN204 AIYRYYNQVG214 RKPTMKWSTI 224 DRWPTHHLLI234 QCFADHILKE244 LDHFPLEKRS254 EVVILFSAHS264 LPMSVVNRGD 274 PYPQEVSATV284 QKVMERLEYC294 NPYRLVWQSK304 VGPMPWLGPQ314 TDESIKGLCE 324 RGRKNILLVP334 IAFTSDHIET344 LYELDIEYSQ354 VLAKECGVEN364 IRRAESLNGN 374 PLFSKALADL384 VHSHIQSNEL394 CSKQLTLSCP404 LCVNPVCRET414 KSFFTSQQL |
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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 .GFO or .GFO2 or .GFO3 or :3GFO;style chemicals stick;color identity;select .A:76 or .A:93 or .A:98 or .A:99 or .A:101 or .A:111 or .A:115 or .A:191 or .A:195 or .A:197 or .A:198 or .A:263 or .A:264 or .A:265 or .A:266 or .A:269 or .A:276 or .A:305 or .A:306 or .A:310 or .A:336 or .A:337 or .A:341 or .A:343; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET76
4.384
PHE93
3.688
LEU98
3.204
MET99
3.469
LEU101
4.821
ILE111
3.969
LEU115
3.971
TYR191
3.382
SER195
4.905
SER197
2.930
THR198
3.597
HIS263
3.482
|
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| Ligand Name: 2-[[(4-chlorophenyl)amino]methyl]-5-propyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one | Ligand Info | |||||
| Structure Description | FECH - inhibitor complex 2 | PDB:7CT7 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [5] |
| PDB Sequence |
RKPKTGILML
74 NMGGPETLGD84 VHDFLLRLFL94 DRDLMTLPIQ104 NKLAPFIAKR114 LTPKIQEQYR 124 RIGGGSPIKI134 WTSKQGEGMV144 KLLDELSPNT154 APHKYYIGFR164 YVHPLTEEAI 174 EEMERDGLER184 AIAFTQYPQY194 SCSTTGSSLN204 AIYRYYNQVG214 RKPTMKWSTI 224 DRWPTHHLLI234 QCFADHILKE244 LDHFPLEKRS254 EVVILFSAHS264 LPMSVVNRGD 274 PYPQEVSATV284 QKVMERLEYC294 NPYRLVWQSK304 VGPMPWLGPQ314 TDESIKGLCE 324 RGRKNILLVP334 IAFTSDHIET344 LYELDIEYSQ354 VLAKECGVEN364 IRRAESLNGN 374 PLFSKALADL384 VHSHIQSNEL394 CSKQLTLSCP404 LCVNPVCRET414 KSFFTSQQL |
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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 .GF9 or .GF92 or .GF93 or :3GF9;style chemicals stick;color identity;select .A:76 or .A:92 or .A:93 or .A:98 or .A:99 or .A:191 or .A:197 or .A:198 or .A:263 or .A:264 or .A:265 or .A:266 or .A:276 or .A:305 or .A:310 or .A:336 or .A:337; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: FE(III) Deuteroporphyrin IX | Ligand Info | |||||
| Structure Description | Human ferrochelatase with Mn and deuteroporphyrin bound | PDB:3HCP | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
RKPKTGILML
74 NMGGPETLGD84 VHDFLLRLFL94 DRDLMTLPIQ104 NKLAPAIAKR114 RTPKIQEQYR 124 RIGGGSPIKI134 WTSKQGEGMV144 KLLDELSPNT154 APHKYYIGFR164 YVHPLTEEAI 174 EEMERDGLER184 AIAFTQYPQY194 SCSTTGSSLN204 AIYRYYNQVG214 RKPTMKWSTI 224 DRWPTHHLLI234 QCFADHILKE244 LDHFPLEKRS254 EVVILFSAHS264 LPMSVVNRGD 274 PYPQEVSATV284 QKVMERLEYC294 NPYRLVWQSK304 VGPMPWLGPQ314 TDESIKGLCE 324 RGRKNILLVP334 IAFTSDHIET344 LYELDIEYSQ354 VLAKECGVEN364 IRRAESLNGN 374 PLFSKALADL384 VHSHIQSNEL394 CSKQLTLSCP404 LCVNPVCRET414 KSFFTSQQL |
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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 .FDE or .FDE2 or .FDE3 or :3FDE;style chemicals stick;color identity;select .A:76 or .A:77 or .A:78 or .A:79 or .A:88 or .A:89 or .A:92 or .A:93 or .A:98 or .A:99 or .A:115 or .A:118 or .A:119 or .A:122 or .A:123 or .A:195 or .A:197 or .A:198 or .A:263 or .A:264 or .A:265 or .A:266 or .A:269 or .A:276 or .A:305 or .A:310 or .A:337 or .A:341 or .A:342 or .A:343; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET76
3.511
GLY77
4.913
GLY78
4.450
PRO79
3.814
PHE88
3.358
LEU89
4.228
LEU92
3.891
PHE93
3.591
LEU98
3.613
MET99
3.672
ARG115
2.688
LYS118
4.765
ILE119
3.544
GLN122
4.993
TYR123
2.205
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Salicylic acid induces mitochondrial injury by inhibiting ferrochelatase heme biosynthesis activity. Mol Pharmacol. 2013 Dec;84(6):824-33. | ||||
| REF 2 | Product release rather than chelation determines metal specificity for ferrochelatase. J Mol Biol. 2009 Oct 23;393(2):308-19. | ||||
| REF 3 | A pi-helix switch selective for porphyrin deprotonation and product release in human ferrochelatase. J Mol Biol. 2007 Nov 2;373(4):1006-16. | ||||
| REF 4 | FECH - inhibitor complex 1 | ||||
| REF 5 | FECH - inhibitor complex 1 | ||||
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