Structure of PDB 9f0f Chain A Binding Site BS01

Receptor Information
>9f0f Chain A (length=308) Species: 1639 (Listeria monocytogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVGLLVMAYGTPYKDEDIERYYTDIRHGHKPSEEMIADLRGRYHAIGGL
SPLAKITEAQAYGLEKALNDSQDEVEFKAYIGLKHIEPFIEDAVEAMHKD
GIEEAISIVLAPHYSSFSVEAYNKRAKEAADKLGGPRINAINDWYKQPKF
IQMWADRINETAKQIPADELLDTVLIVSAHSLPEKIKQHNDPYPNQLQET
ADFIFEKVVVPHYALGWQSEGKTGEPWLGPDVQDLTRELYGREKYKHFIY
TPVGFVAEHLEVLYDNDYECKVVTDEVGAAYHRPPMPNSDPEFLEVLRTV
VWEKYSNL
Ligand information
Ligand IDHT9
InChIInChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
InChIKeyXNBNKCLBGTWWSD-UJJXFSCMSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1c(CCC(O)=O)c2[nH]c1cc3nc(cc4nc(cc5[nH]c(c2)c(CCC(O)=O)c5C)c(CCC(O)=O)c4C)c(CCC(O)=O)c3C
OpenEye OEToolkits 2.0.7Cc1c2cc3nc(cc4nc(cc5c(c(c([nH]5)cc(c1CCC(=O)O)[nH]2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O
OpenEye OEToolkits 2.0.7Cc1c2cc3nc(cc4n/c(c\c5c(c(c([nH]5)/cc(/c1CCC(=O)O)\[nH]2)CCC(=O)O)C)/C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O
FormulaC36 H38 N4 O8
Namecoproporphyrin III
ChEMBL
DrugBank
ZINC
PDB chain9f0f Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9f0f Coproporphyrin III - LmCpfC WT complex soaked with Fe2+ and anomalous densities
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y12 T14 Y24 I28 R29 Y46 S53 L55 Y124 H182 F257 H261 L262
Binding residue
(residue number reindexed from 1)		Y10 T12 Y22 I26 R27 Y44 S51 L53 Y122 H180 F255 H259 L260
Annotation score4
Enzymatic activity
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:9f0f, PDBe:9f0f, PDBj:9f0f
PDBsum9f0f
PubMed
UniProtQ8Y565|CPFC_LISMO Coproporphyrin III ferrochelatase (Gene Name=cpfC)

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