Structure of PDB 5b48 Chain B Binding Site BS01

Receptor Information
>5b48 Chain B (length=286) Species: 273063 (Sulfurisphaera tokodaii str. 7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPQWNDWCPGCGNFGILNAEQQAIVELGVDTKNVVVVSGIGCSGKIPHFT
PISGVHTLHGRAIAFATGIKLSNPDLVVIVNGGDGDLLGIGAGHFVAAGR
RNVDMVVILHDNGVYGLTKGQASPTLKRGENINDAVNPIALAISSGYTFV
ARGYAYDVKHLKELIKSAIKHKGLALIDVLQPCPTYNDINTKEWRIYKLD
TLPDWDPVVKKPEEVNEKIKRAIDKSLEWGDIPIGIFYQNELVPSYEERI
KANSPAYLDYTPAKQLIEKEGKLTTIIDPLLKEREV
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 chain5b48 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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PDB5b48 Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C12 C15 C46 C197 T199
Binding residue
(residue number reindexed from 1)		C8 C11 C42 C183 T185
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5b48, PDBe:5b48, PDBj:5b48
PDBsum5b48
PubMed27619895
UniProtQ96Y68|OFOB1_SULTO 2-oxoacid:ferredoxin oxidoreductase 1, subunit beta (Gene Name=ST2298)

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