Structure of PDB 1sb3 Chain B Binding Site BS02

Receptor Information
>1sb3 Chain B (length=323) Species: 59405 (Thauera aromatica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNILTDFRTHRPATLADAVNALAAEATLPLGAGTDLLPNLRRGLGHPAAL
VDLTGIDGLATISTLADGSLRIGAGATLEAIAEHDAIRTTWPALAQAAES
VAGPTHRAAATLGGNLCQDTRCTFYNQSEWWRSGNGYCLKYKGDKCHVIV
KSDRCYATYHGDVAPALMVLDARAEIVGPAGKRTVPVAQLFRESGAEHLT
LEKGELLAAIEVPPTGAWSAAYSKVRIRDAVDFPLAGVAAALQRDGDRIA
GLRVAITGSNSAPLMVPVDALLGGNWDDAAAETLAQLVRKTSNVLRTTIT
GVKYRRRVLLAISRKVVDQLWEA
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 chain1sb3 Chain B Residue 1910 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sb3 Structure of a Xanthine Oxidase-Related 4-Hydroxybenzoyl-CoA Reductase with an Additional [4Fe-4S] Cluster and an Inverted Electron Flow.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C122 C138 K140 C146 H147 C155 Y156 A157
Binding residue
(residue number reindexed from 1)		C122 C138 K140 C146 H147 C155 Y156 A157
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.7.1: 4-hydroxybenzoyl-CoA reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0018525 4-hydroxybenzoyl-CoA reductase activity
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0071949 FAD binding

View graph for
Molecular Function
External links
PDB RCSB:1sb3, PDBe:1sb3, PDBj:1sb3
PDBsum1sb3
PubMed15576037
UniProtO33820|HCRB_THAAR 4-hydroxybenzoyl-CoA reductase subunit beta (Gene Name=hcrB)

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