Structure of PDB 8aw7 Chain A Binding Site BS01

Receptor Information
>8aw7 Chain A (length=309) Species: 1639 (Listeria monocytogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVGLLVMAYGTPYKDEDIERYYTDIRHGHKPSEEMIADLRGLYHAIGGL
SPLAKITEAQAYGLEKALNDSQDEVEFKAYIGLKHIEPFIEDAVEAMHKD
GIEEAISIVLAPHYSSFSVEAYNKRAKEAADKLGGPRINAINDWYKQPKF
IQMWADRINETAKQIPADELLDTVLIVSAHSLPEKIKQHNDPYPNQLQET
ADFIFEKVVVPHYALGWQSEGKTGEPWLGPDVQDLTRELYGREKYKHFIY
TPVGFVAEHLEVLYDNDYECKVVTDEVGAAYHRPPMPNSDPEFLEVLRTV
VWEKYSNLE
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 chain8aw7 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8aw7 Active site architecture of coproporphyrin ferrochelatase with its physiological substrate coproporphyrin III: Propionate interactions and porphyrin core deformation.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		Y12 T14 Y25 I28 Y46 S53 L55 Y124 H182 H261 L262 E263
Binding residue
(residue number reindexed from 1)		Y10 T12 Y23 I26 Y44 S51 L53 Y122 H180 H259 L260 E261
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:8aw7, PDBe:8aw7, PDBj:8aw7
PDBsum8aw7
PubMed36479958
UniProtQ8Y565|CPFC_LISMO Coproporphyrin III ferrochelatase (Gene Name=cpfC)

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