Structure of PDB 7cka Chain A Binding Site BS01

Receptor Information
>7cka Chain A (length=211) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGFVEEMRFVAMRLHTRDQAREGEKEVKQPEEKAVTKWDPSVEGYLKFLV
DSKLVYDTLEKIVQEAPHPSYAEFRNTGLERSASLAEDLEWFKEQGYTIP
EPSSPGLTYAQYLKELSVKDPQAFICHFYNIYFAHSAGGRMIGKKVAEKL
LNNKALEFYKWDDDLPRLLQNVRDKLNKVAEPWSREEKDHCLEETEKSFK
LSGEILRLILS
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain7cka Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7cka Crystal structure of higher plant heme oxygenase-1 and its mechanism of interaction with ferredoxin.
Resolution1.06 Å
Binding residue
(original residue number in PDB)		R23 M27 H30 Q34 W53 Y144 N145 A149 A152 G153 R188 F214 S217
Binding residue
(residue number reindexed from 1)		R8 M12 H15 Q19 W38 Y129 N130 A134 A137 G138 R173 F199 S202
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004392 heme oxygenase (decyclizing) activity
Biological Process
GO:0006788 heme oxidation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7cka, PDBe:7cka, PDBj:7cka
PDBsum7cka
PubMed33839679
UniProtI1JW65

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