Structure of PDB 2d40 Chain A Binding Site BS01

Receptor Information
>2d40 Chain A (length=289) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPNANCAPAYWNYQEIRPLLVLENPALRGQSSITATLYAGLQLIMPGEVA
PSHRHNQSALRFIVEGKGAFTAVDGERTPMNEGDFILTPQWRWHDHGNPG
DEPVIWLDGLDLPLVNILGCGFAEDYPQQPVTRKEGDYLPRYAANMLPLR
HQTGNSSPIFNYRYDRSREVLHDLTRLGDADEWDGYKMRYVNPVTGGYPM
PSMGAFLQLLPKGFASRVARTTDSTIYHVVEGSGQVIIGNETFSFSAKDI
FVVPTWHGVSFQTTQDSVLFSFSDRPVQEALGLFREARY
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2d40 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2d40 Structural and biochemical characterization of gentisate 1,2-dioxygenase from Escherichia coli O157:H7
Resolution2.41 Å
Binding residue
(original residue number in PDB)		H104 H106 H145
Binding residue
(residue number reindexed from 1)		H53 H55 H94
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.4: gentisate 1,2-dioxygenase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0047922 gentisate 1,2-dioxygenase activity
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:2d40, PDBe:2d40, PDBj:2d40
PDBsum2d40
PubMed16930152
UniProtQ8X655

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