Structure of PDB 7b9a Chain D Binding Site BS01

Receptor Information
>7b9a Chain D (length=629) Species: 246194 (Carboxydothermus hydrogenoformans Z-2901) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MATKTSIHPSVNELYQRLAEDQLSNCFDRFDPQEKIRCNYCELGVSCQLC
SNGPCRINEKVGATLGVCGINADGMAMRYMLLRNVMGTSTYTYHAYEAYK
TLKMTALGNTPFTITDKDKLYQMAKDLELNTEGKPEDVAVRLSDFLIWEL
YRDYDEPGKMIEVYAPLKRKEVWRKLGIYPAGPLHELKDAAASCLTNVDG
DYVSLATKGLRLGLSCIYGAQIGLELVQDILFGTGMPHEMDVDLGIFDAD
YINIVFNGHEPFVGVALILAAKEAVNQDKAKAAGAKSLRIYGSIESGQEV
VQRFQKDEVFRGLTGNWLTIEPMLATGAVDVLAMDMNCSPPNLGPLAEKY
GATLVSVSRLVRFPGIHHFLDYKPSEVREIAQKIIDIAVDSFKNKRHGKI
TPKIPANIQKAITGFTPEAILKALGGSINPLIEVIKAGKIKGAVGLINCT
TLKNGPQDYVTVNLAKELIKRDILILSGGCGNHALEVAGLCNLDAINLAG
PGLSEVCRNLNIPPVLSFGTCTDTGRISLVVTALANALNVDTADLPVAVT
APMYMEQKATIDALFALAYGLYTHVAPDPPVMGAPNLVKLLTRDLPSITG
GRIAVGSDPVKVADDILAHINDRRAKLGI
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7b9a Chain D Residue 1001 [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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PDB7b9a A Morphing [4Fe-3S-nO]-Cluster within a Carbon Monoxide Dehydrogenase Scaffold.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C38 C41 R56
Binding residue
(residue number reindexed from 1)		C38 C41 R56
Annotation score3
Enzymatic activity
Enzyme Commision number 1.2.7.4: anaerobic carbon-monoxide dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004601 peroxidase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
GO:0046872 metal ion binding
GO:0050418 hydroxylamine reductase activity
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0042542 response to hydrogen peroxide
GO:0098869 cellular oxidant detoxification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7b9a, PDBe:7b9a, PDBj:7b9a
PDBsum7b9a
PubMed35133707
UniProtQ3AG28

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