Structure of PDB 2wwn Chain A Binding Site BS02

Receptor Information
>2wwn Chain A (length=158) Species: 633 (Yersinia pseudotuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDKASMTVKINESLPQGNGKALGTVTVTETAYGLLFTPHLTGLAPGIHGF
HLHEKPSCAPGMKDGKAVPALAAGGHLDPNKTGVHLGPYNDKGHLGDLPG
LVVNADGTATYPVLAPRLKSLSEVKQHALMIHAGGDNYSDHPMPLGGGGA
RMACGVIE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2wwn Chain A Residue 1163 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wwn Crystal Structure of the Yersinia Pseudotuberculosis Superoxide Dismutase (Sodc)
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H79 H88 H97 D100
Binding residue
(residue number reindexed from 1)		H76 H85 H94 D97
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wwn, PDBe:2wwn, PDBj:2wwn
PDBsum2wwn
PubMed
UniProtQ66ED7

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