Structure of PDB 8bbv Chain A Binding Site BS01

Receptor Information
>8bbv Chain A (length=307) Species: 1639 (Listeria monocytogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVGLLVMAYGTPYKDEDIERYYTDIRHGHKPSEEMIADLRGRYHAIGGLS
PLAKITEAQAYGLEKALNDSQDEVEFKAYIGLKHIEPFIEDAVEAMHKDG
IEEAISIVLAPHYSSFSVEAYNKRAKEAADKLGGPRINAINDWYKQPKFI
QMWADRINETAKQIPADELLDTVLIVSAHSLPEKIKQHNDPYPNQLQETA
DFIFEKVVVPHYALGWQSEGKTGEPWLGPDVQDLTRELYGREKYKHFIYT
PVGFVAEHLEVLYDNDYECKVVTDEVGAAYHRPPMPNSDPEFLEVLRTVV
WEKYSNL
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 chain8bbv Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8bbv Coproporphyrin III - LmCpfC soaked 2min with Fe2+
Resolution2.19 Å
Binding residue
(original residue number in PDB)		Y12 T14 Y24 Y25 I28 R29 L42 Y46 S53 L55 Y124 H182 L184 W229 H261 L262 E263
Binding residue
(residue number reindexed from 1)		Y9 T11 Y21 Y22 I25 R26 L39 Y43 S50 L52 Y121 H179 L181 W226 H258 L259 E260
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8bbv, PDBe:8bbv, PDBj:8bbv
PDBsum8bbv
PubMed37743577
UniProtQ8Y565|CPFC_LISMO Coproporphyrin III ferrochelatase (Gene Name=cpfC)

[Back to BioLiP]