Structure of PDB 3ce1 Chain A Binding Site BS01

Receptor Information
>3ce1 Chain A (length=150) Species: 104408 (Naganishia liquefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKAIAVLKGDSPVQGVITFTQEGPVTVSGEIKNMDANAQRGFHVHQFGDN
SNGCTSAGPHFNPTGTNHGDRTAEVRHVGDLGNVKTDASGVAKVQISDSQ
LSLVGPHSIIGRTIVIHAGEDDLGKTDHPESLKTGNAGARSACGVIGIAA
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 chain3ce1 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ce1 Structure of Cu/Zn superoxide dismutase from the heavy-metal-tolerant yeast Cryptococcus liquefaciens strain N6.
Resolution1.2 Å
Binding residue
(original residue number in PDB)
H67 H75 H84 D87
Binding residue
(residue number reindexed from 1)
H60 H68 H77 D80
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H50 H52 H67 H75 H84 D87 H124 R147
Catalytic site (residue number reindexed from 1) H43 H45 H60 H68 H77 D80 H117 R140
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
GO:0034599 cellular response to oxidative stress

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Molecular Function

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Biological Process
External links
PDB RCSB:3ce1, PDBe:3ce1, PDBj:3ce1
PDBsum3ce1
PubMed18640099
UniProtA0ZPR9

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