Structure of PDB 8cjb Chain A Binding Site BS03

Receptor Information
>8cjb Chain A (length=669) Species: 246194 (Carboxydothermus hydrogenoformans Z-2901) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRFRDLEHTSKPSKADRVWEPKNRKRTIDPAALEMLEKAEKDGVKTAFDR
FVEMQPQCQFGYKGLCCRFCLQGPCRLPNDDPSKKGICGASAWTIAARSV
GTLILTGAAAHNEHARHIAHALKELAEGKAPDYKITDPDKLRRIAQRLGL
DTQGKDDMTLAKEVAELALEDFARLPGFGENLWIKTTLNKERLEKYDECN
IMPSGIFGDISDLLAQAHIGNDDDPVNITFSALRVALTDYAGMHIATDFS
DVLFGTPKPIVTEANLGVLDANKVNIAVHGHNPLLSEKVVDAAKELEEEA
KAAGAEGINIVGMCCTGNEVLMRRGVHLATSFASSELAIVTGAMDAVVVD
VQCIMPGLKQVTECYHTRLITTSNIAKMPGTYHVPFHIENALESAKEIVR
LGIEAFKQRVGKPVHIPEVKHKVVAGFSFEALMEIFAHVNQENPIRVLND
AILSGQLKGVVLFAGCNNLKRPQDESHITILKEMLKNDVFVVTTGCSAQA
FAKHGFLRPEALELAGEGLKSFIKMLEEKAGLQGQLPPAFFMGSCVDNTR
ASDILVAMAKDLGVDTPKVPFVASAPEAMSGKAVSIGTWFVTLGVPVHVG
TMPPLEGSELFYSITTQIASDVYGGYFMFEVDPVVAARKILNALEYRTWK
LGVHKQTAEKFETALCQNY
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8cjb Chain A Residue 703 [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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PDB8cjb A225L variant of the CODH/ACS complex of C. hydrogenoformans
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C68 F70 C71 C76 I88 C89 I220
Binding residue
(residue number reindexed from 1)		C67 F69 C70 C75 I87 C88 I219
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:8cjb, PDBe:8cjb, PDBj:8cjb
PDBsum8cjb
PubMed38743001
UniProtA0A1L8D0M5

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