Structure of PDB 2jcw Chain A Binding Site BS02

Receptor Information
>2jcw Chain A (length=153) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQAVAVLKGDAGVSGVVKFEQASESEPTTVSYEIAGNSPNAERGFHIHEF
GDATNGCVSAGPHFNPFKKTHGAPTDEVRHVGDMGNVKTDENGVAKGSFK
DSLIKLIGPTSVVGRSVVIHAGQDDLGKGDTEESLKTGNAGPRPACGVIG
LTN
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 chain2jcw Chain A Residue 155 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jcw A structure-based mechanism for copper-zinc superoxide dismutase.
Resolution1.7 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:0004784 superoxide dismutase activity
GO:0005507 copper ion binding
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016209 antioxidant activity
GO:0016491 oxidoreductase activity
GO:0016670 oxidoreductase activity, acting on a sulfur group of donors, oxygen as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0006878 intracellular copper ion homeostasis
GO:0006882 intracellular zinc ion homeostasis
GO:0015680 protein maturation by copper ion transfer
GO:0019430 removal of superoxide radicals
GO:0031505 fungal-type cell wall organization
GO:0034599 cellular response to oxidative stress
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0050821 protein stabilization
GO:1901856 negative regulation of cellular respiration
GO:1990748 cellular detoxification
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005758 mitochondrial intermembrane space
GO:0005829 cytosol
GO:1902693 superoxide dismutase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2jcw, PDBe:2jcw, PDBj:2jcw
PDBsum2jcw
PubMed10026301
UniProtP00445|SODC_YEAST Superoxide dismutase [Cu-Zn] (Gene Name=SOD1)

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