Structure of PDB 1ues Chain D Binding Site BS01

Receptor Information
>1ues Chain D (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 D Residue 792 [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)		H627 H674 W723 D757 H761
Binding residue
(residue number reindexed from 1)		H27 H74 W123 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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