Structure of PDB 1ues Chain C Binding Site BS01

Receptor Information
>1ues 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
NPLLTFDVWEHAYYLTYQNRRADHLKDLWSIVDWDIVESRY
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1ues 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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PDB1ues 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:1ues, PDBe:1ues, PDBj:1ues
PDBsum1ues
PubMed12962504
UniProtP19665|SODF_PORGI Superoxide dismutase [Mn/Fe] (Gene Name=sodB)

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