Structure of PDB 3gtv Chain D Binding Site BS01

Receptor Information
>3gtv Chain D (length=153) Species: 9606,10090 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEF
GDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTAGKDGVANVSIE
DRVISLSGEHSIIGRTMVVHEKQDDLGKGGNEESTKTGNAGSRLACGVIG
IAQ
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 chain3gtv Chain D Residue 155 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gtv Structures of mouse SOD1 and human/mouse SOD1 chimeras.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H63 H71 H80 D83
Binding residue
(residue number reindexed from 1)		H63 H71 H80 D83
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H46 H48 H63 H71 H80 D83 H120 R143
Catalytic site (residue number reindexed from 1) H46 H48 H63 H71 H80 D83 H120 R143
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3gtv, PDBe:3gtv, PDBj:3gtv
PDBsum3gtv
PubMed20727846
UniProtP00441|SODC_HUMAN Superoxide dismutase [Cu-Zn] (Gene Name=SOD1);
P08228|SODC_MOUSE Superoxide dismutase [Cu-Zn] (Gene Name=Sod1)

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