Structure of PDB 6vw8 Chain B Binding Site BS02

Receptor Information
>6vw8 Chain B (length=513) Species: 106590 (Cupriavidus necator) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITITTIFVPRDSTALALGADDVARAIAREAAARNEHVRIVRNGSRGMFWL
EPLVEVQTGAGRVAYGPVSAADVPGLFDAGLLQGGEHALSQGVTEEIPFL
KQQERLTFARVGITDPLSLDDYRAHEGFAGLERALAMQPAEIVQEVTDSG
LRGRGGAAFPTGIKWKTVLGAQSAVKYIVCNADEGDSGTFSDRMVMEDDP
FMLIEGMTIAALAVGAEQGYIYCRSEYPHAIAVLESAIGIANAAGWLGDD
IRGSGKRFHLEVRKGAGAYVCGEETALLESLEGRRGVVRAKPPLPALQGL
FGKPTVINNVISLATVPVILARGAQYYRDYGMGRSRGTLPFQLAGNIKQG
GLVEKAFGVTLRELLVDYGGGTRSGRAIRAVQVGGPLGAYLPESRFDVPL
DYEAYAAFGGVVGHGGIVVFDETVDMAKQARYAMEFCAIESCGKCTPCRI
GSTRGVEVMDRIIAGEQPVKHVALVRDLCDTMLNGSLCAMGGMTPYPVLS
ALNEFPEDFGLAS
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 chain6vw8 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vw8 Crystallographic and kinetic analyses of the FdsBG subcomplex of the cytosolic formate dehydrogenase FdsABG fromCupriavidus necator.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		V271 V289 S442 C443 G444 K445 C446 C449 S487 L488 C489 M491 G492
Binding residue
(residue number reindexed from 1)		V270 V288 S441 C442 G443 K444 C445 C448 S486 L487 C488 M490 G491
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.1.2: Transferred entry: 1.17.1.9.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6vw8, PDBe:6vw8, PDBj:6vw8
PDBsum6vw8
PubMed32249211
UniProtQ0KDY2

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