Structure of PDB 1c1h Chain A Binding Site BS01

Receptor Information
>1c1h Chain A (length=306) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMGLLVMAYGTPYKEEDIERYYTHIRRGRKPEPEMLQDLKDRYEAIGGIS
PLAQITEQQAHNLEQHLNEIQDEITFKAYIGLKHIEPFIEDAVAEMHKDG
ITEAVSIVLAPHFSTFSVQSYNKRAKEEAEKLGGLTITSVESWYDEPKFV
TYWVDRVKETYASMPEDERENAMLIVSAHSLPEKIKEFGDPYPDQLHESA
KLIAEGAGVSEYAVGWQSEGNTPDPWLGPDVQDLTRDLFEQKGYQAFVYV
PVGFVADHLEVLYDNDYECKVVTDDIGASYYRPEMPNAKPEFIDALATVV
LKKLGR
Ligand information
Ligand IDMMP
InChIInChI=1S/C35H40N4O4/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28/h14-17,36H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-16-,28-17-,29-14-,30-15-,31-15-,32-16-,33-17-
InChIKeyYNWHQWMCLCANDI-YIYRCNGCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCc1c(C)c2cc3n(C)c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3CC
ACDLabs 10.04O=C(O)CCc3c(c4cc1nc(C(=C1CC)C)cc5n(c(cc2nc(C(=C2C)CCC(=O)O)cc3n4)c(c5CC)C)C)C
OpenEye OEToolkits 1.5.0CCc1c(c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc1n2C)C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C
OpenEye OEToolkits 1.5.0CCc1c(c2cc3nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c1n2C)/C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C
FormulaC35 H40 N4 O4
NameN-METHYLMESOPORPHYRIN
ChEMBL
DrugBank
ZINC
PDB chain1c1h Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1c1h Structural and mechanistic basis of porphyrin metallation by ferrochelatase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y13 I29 R30 F120 H183 K188 W230
Binding residue
(residue number reindexed from 1)		Y9 I25 R26 F116 H179 K184 W226
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) Y13 I29 P35 K87 H88 H183 D261 E264 D268
Catalytic site (residue number reindexed from 1) Y9 I25 P31 K83 H84 H179 D257 E260 D264
Enzyme Commision number 4.99.1.9: coproporphyrin ferrochelatase.
Gene Ontology
Molecular Function
GO:0004325 ferrochelatase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006783 heme biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1c1h, PDBe:1c1h, PDBj:1c1h
PDBsum1c1h
PubMed10704318
UniProtP32396|CPFC_BACSU Coproporphyrin III ferrochelatase (Gene Name=cpfC)

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