Structure of PDB 3g50 Chain C Binding Site BS01

Receptor Information
>3g50 Chain C (length=116) Species: 1902 (Streptomyces coelicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HCALPCGVYDPAQARIEAESVKAVQEKMAGNDDPHFQTRATVIKEQRAEL
AKHHVSVLWSDYFKPPHFEKYPELHQLVNDTLKALSAAKGSKDPATGQKA
LDYIAQIDKIFWETKK
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain3g50 Chain C Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3g50 Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H1 C2 C6
Binding residue
(residue number reindexed from 1)		H1 C2 C6
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0016151 nickel cation binding
GO:0016209 antioxidant activity

View graph for
Molecular Function
External links
PDB RCSB:3g50, PDBe:3g50, PDBj:3g50
PDBsum3g50
PubMed19183068
UniProtP80735|SODN_STRCO Superoxide dismutase [Ni] (Gene Name=sodN)

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