Structure of PDB 5b47 Chain B Binding Site BS01

Receptor Information
>5b47 Chain B (length=275) Species: 273063 (Sulfurisphaera tokodaii str. 7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVDWCPGCGDFGILRAEEMAIRELGINPKSVVIVSGIGCSGKIPHFMNLP
ISGVHTLHGRSIAFATGIKLSNPSLEVIVNVGDGDGLGIGMGHFVHLGRR
NIDIAVLVHNNGVYGLQASPTLHRGENIMDAVNPLAVALAAGYTFVARGY
AYDVMHLKELIKKAILHKGSALVDILQPCPTYRVYKLDNVPGWDPVVRKE
EEAQKKFEQAIMKSYEWGEKIPIGIFYQNELVPTFEDRLTSNIPNYREYY
PAKQQIEINGISTTKIDELIKAKRI
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 chain5b47 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b47 Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C12 C15 C46 C197
Binding residue
(residue number reindexed from 1)		C5 C8 C39 C179
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.7.11: 2-oxoacid oxidoreductase (ferredoxin).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0018491 2-oxobutyrate synthase activity
GO:0019164 pyruvate synthase activity
GO:0030976 thiamine pyrophosphate binding
GO:0046872 metal ion binding
GO:0047553 2-oxoglutarate synthase activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006086 acetyl-CoA biosynthetic process from pyruvate

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Molecular Function
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Biological Process
External links
PDB RCSB:5b47, PDBe:5b47, PDBj:5b47
PDBsum5b47
PubMed27619895
UniProtQ96XT4|OFOB2_SULTO 2-oxoacid:ferredoxin oxidoreductase 2, subunit beta (Gene Name=ST2433)

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