Structure of PDB 1uer Chain C Binding Site BS01

Receptor Information
>1uer Chain C (length=191) Species: 837 (Porphyromonas gingivalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTHELISLPYAVDALAPVISKETVEFHHGKHLKTYVDNLNKLIIGTEFEN
ADLNTIVQKSEGGIFNNAGQTLNHNLYFTQFRPGKGGAPKGKLGEAIDKQ
FGSFEKFKEEFNTAGTTLFGSGWVWLASDANGKLSIEKEPNAGNPVRKGL
NPLLGFDVWEHAYYLTYQNRRADHLKDLWSIVDWDIVESRY
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 chain1uer Chain C Residue 592 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uer Pronounced conversion of the metal-specific activity of superoxide dismutase from Porphyromonas gingivalis by the mutation of a single amino acid (Gly155Thr) located apart from the active site
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H427 H474 D557 H561
Binding residue
(residue number reindexed from 1)		H27 H74 D157 H161
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

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Molecular Function
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Biological Process
External links
PDB RCSB:1uer, PDBe:1uer, PDBj:1uer
PDBsum1uer
PubMed12962504
UniProtP19665|SODF_PORGI Superoxide dismutase [Mn/Fe] (Gene Name=sodB)

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