Structure of PDB 7bke Chain D Binding Site BS01

Receptor Information
>7bke Chain D (length=549) Species: 323259 (Methanospirillum hungatei JF-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEIMKYVATTCPYCGVGCTLNLVVSNGKVVGVEPNQRSPINEGKLCPKGV
TCWEHIHSPDRLTTPLIKKDGKFIEASWDEALDLVAKNLKVIYDKHGPKG
LGFQTSCRTVNEDCYIFQKFARVGFKTNNVDNCARICHGPSVAGLSLSFG
SGAATNGFEDALNADLILIWGSNAVEAHPLAGRRIAQAKKKGIQIIAVDP
RYTMTARLADTYVRFNPSTHIALANSMMYWIIKEGLEDKKFIQDRVNGFE
DLKKTVENYADAEAIHGVPLDVVKDIAFRYAKAKNAVIIYCTDNVRSMGN
LALLTGNVGREGVGVNPLRGQNNVQGACDMGAYPNVYSGYQKCEVAENRA
KMEKAWSVTNLPDWYGATLTEQINQCGDEIKGMYILGLNPVVTYPSSNHV
KAQLEKLDFLVVQDIFFTETCQYADVILPGACFAEKDGTFTSGERRINRV
RKAVNPPGQAKEDIHIISELAAKMGFKGFELPTAKDVWDDMRAVTPSMFG
ATYEKLERPEGICWPCPTEEHPGTPILHREKFATADGKGNLFGIDYRPP
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 chain7bke Chain D Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bke Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C15 Y17 C18 C22 C50 K52 G53 L184
Binding residue
(residue number reindexed from 1)		C11 Y13 C14 C18 C46 K48 G49 L180
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.99.-
Gene Ontology
Molecular Function
GO:0008863 formate dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015942 formate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7bke, PDBe:7bke, PDBj:7bke
PDBsum7bke
PubMed34516836
UniProtQ2FRK1

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