Structure of PDB 3cei Chain A Binding Site BS01

Receptor Information
>3cei Chain A (length=213) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFTLRELPFAKDSMGDFLSPVAFDFHHGKHHQTYVNNLNNLIKGTDFEKS
SLFAILTKSSGGVFNNAAQIYNHDFYWDCLSPKATALSDELKGALEKDFG
SLEKFKEDFIKSATTLFGSGWNWAAYNLDTQKIEIIQTSNAQTPVTDKKV
PLLVVDVWEHAYYIDHKNARPVYLEKFYGHINWHFVSQCYEWAKKEGLGS
VDYYINELVHKKL
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 chain3cei Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cei The crystal structure of the superoxide dismutase from Helicobacter pylori reveals a structured C-terminal extension
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H26 H73 D156 H160
Binding residue
(residue number reindexed from 1)		H26 H73 D156 H160
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals
GO:0071281 cellular response to iron ion

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Molecular Function
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Biological Process
External links
PDB RCSB:3cei, PDBe:3cei, PDBj:3cei
PDBsum3cei
PubMed18502213
UniProtP43312|SODF_HELPY Superoxide dismutase [Fe] (Gene Name=sodB)

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