Structure of PDB 8ofl Chain A Binding Site BS01

Receptor Information
>8ofl Chain A (length=306) 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
WEKYSN
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 chain8ofl Chain A Residue 403 [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]
PDB8ofl Coproporphyrin III - LmCpfC soaked 4min with Fe2+
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y12 T14 Y25 I28 R45 Y46 S53 L55 Y124 H182 H261 L262 E263
Binding residue
(residue number reindexed from 1)		Y9 T11 Y22 I25 R42 Y43 S50 L52 Y121 H179 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:8ofl, PDBe:8ofl, PDBj:8ofl
PDBsum8ofl
PubMed37743577
UniProtQ8Y565|CPFC_LISMO Coproporphyrin III ferrochelatase (Gene Name=cpfC)

[Back to BioLiP]