Structure of PDB 5g5g Chain A Binding Site BS02

Receptor Information
>5g5g Chain A (length=175) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAATPAPEIMPLTLKVNGKTEQLEVDTRTTLLDTLRENLHLIGTKKGCDH
GQCGACTVLVNGRRLNACLTLAVMHQGAEITTIEGLGSPDNLHPMQAAFI
KHDGFQCGYCTSGQICSSVAVLKEIQDGIPSHVTVDLVSAPETTADEIRE
RMSGNICRCGAYANILAAIEDAAGE
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5g5g Chain A Residue 231 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5g5g The Escherichia Coli Periplasmic Aldehyde Oxidoreductase is an Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G98 C99 D100 G102 C104 G105 C107 C119
Binding residue
(residue number reindexed from 1)		G47 C48 D49 G51 C53 G54 C56 C68
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.99.6: carboxylate reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:5g5g, PDBe:5g5g, PDBj:5g5g
PDBsum5g5g
PubMed27622978
UniProtP77165|PAOA_ECOLI Aldehyde oxidoreductase iron-sulfur-binding subunit PaoA (Gene Name=paoA)

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