Structure of PDB 7t2r Chain D Binding Site BS01

Receptor Information
>7t2r Chain D (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 chain7t2r Chain D Residue 602 [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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PDB7t2r Structure and electron transfer pathways of an electron-bifurcating NiFe-hydrogenase.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		C67 H71 A376 P377 R378 A401 T402 C444 C447
Binding residue
(residue number reindexed from 1)		C64 H68 A373 P374 R375 A398 T399 C441 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:7t2r, PDBe:7t2r, PDBj:7t2r
PDBsum7t2r
PubMed35213221
UniProtI4BYB2

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