Structure of PDB 7t30 Chain I Binding Site BS01

Receptor Information
>7t30 Chain I (length=447) Species: 97477 (Acetomicrobium mobile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFKLEINPVTRIEGHGKITVMLDESGHVRETRFHVTQYRGFEVFTHGRDF
REMPVITPRICGICPVSHHLASAKACDEILGVTITPAAHKLRELMHMGQI
VQSHALSFFHLSSPDILWGFDAPVKIRNVAGLVDRYPELAKKGIMLRKFG
QEIIKTLGGKKIHPWHSIPGGVNRSLTPQERDAIAAQLPEMKSIAMEAIK
LIKDYLQEGGEELKEFATLDTAYMGLVRDGYLELYDGEVRIKAPRGRILD
QFDPKDYLDHIGEHVEPWSYLKFPFYKALGFPHGSYRVGPLARLNAADAV
STPEASKEFALYKEMGEDGIVPYTLYYHYARLIEALYGLERIEQLLADPD
ITSSDLRVTSKEINPEGIGVIEAPRGTLIHHYQVNESGVITKVNLIVATG
HNNFAMNKGVEMVAKKYITGTNVPEGVFNRLEHVIRAYDPCLSCSTH
Ligand information
Ligand IDFCO
InChIInChI=1S/2CN.CO.Fe/c3*1-2;
InChIKeyVBQUCMTXYFMTTE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(#N)[Fe](=C=O)C#N
ACDLabs 10.04N#C\[Fe](C#N)=C=O
CACTVS 3.341O=C=[Fe](C#N)C#N
FormulaC3 Fe N2 O
NameCARBONMONOXIDE-(DICYANO) IRON
ChEMBL
DrugBank
ZINC
PDB chain7t30 Chain I Residue 502 [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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PDB7t30 Structure and electron transfer pathways of an electron-bifurcating NiFe-hydrogenase.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C67 A376 R378 V400 A401 C447
Binding residue
(residue number reindexed from 1)		C64 A373 R375 V397 A398 C444
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7t30, PDBe:7t30, PDBj:7t30
PDBsum7t30
PubMed35213221
UniProtI4BYB2

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