Structure of PDB 7odh Chain S Binding Site BS03

Receptor Information
>7odh Chain S (length=267) Species: 381666 (Cupriavidus necator H16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPRTPVLWLHGLECTCCSESFIRSAHPLAKDVVLSMISLDYDDTLMAAAG
HQAEAILEEIMTKYKGNYILAVEGNPPLNQDGMSCIIGGRPFIEQLKYVA
KDAKAIISWGSCASWGCVQAAKPNPTQATPVHKVITDKPIIKVPGCPPIA
EVMTGVITYMLTFDRIPELDRQGRPKMFYSQRIHDKCYRRPHFDAGQFVE
EWDDESARKGFCLYKMGCKGPTTYNACSTTRWNEGTSFCIQSGHGCIGCS
EDGFWDKGSFYDRLTGI
Ligand information
Ligand IDO
InChIInChI=1S/H2O/h1H2
InChIKeyXLYOFNOQVPJJNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		O
CACTVS 3.341[O]
FormulaO
NameOXYGEN ATOM
ChEMBLCHEMBL1098659
DrugBankDB09145
ZINC
PDB chain7odh Chain S Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7odh Resonance Raman spectroscopic analysis of the iron-sulfur cluster redox chain of the Ralstonia eutropha membrane-bound [NiFe]-hydrogenase
Resolution1.34 Å
Binding residue
(original residue number in PDB)		C20 C115
Binding residue
(residue number reindexed from 1)		C17 C112
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.99.6: hydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008901 ferredoxin hydrogenase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009061 anaerobic respiration
Cellular Component
GO:0005886 plasma membrane
GO:0009375 ferredoxin hydrogenase complex
GO:0016020 membrane
GO:0044569 [Ni-Fe] hydrogenase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7odh, PDBe:7odh, PDBj:7odh
PDBsum7odh
PubMed
UniProtP31892|MBHS_CUPNH Uptake hydrogenase small subunit (Gene Name=hoxK)

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