Structure of PDB 2cw2 Chain B Binding Site BS01

Receptor Information
>2cw2 Chain B (length=196) Species: 31276 (Perkinsus marinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPFQCPPLPYVKNALEPHMSAETLTYHHDKHHQTYVDTLNSIAAENSTIA
SKTLEQIIKTETGKPFNQAAQVYNHTFFFNNLAPNGGGEPTGKIAELITR
DFGSFEKFKEDFSAAAVGHFGSGWVWLIADDGKLKIVQGHDAGNPIRESK
TPLMNIDVWEHAYYIDYRNARAQYVKNYWNLVNWDFVNDNVAKAGI
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2cw2 Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cw2 Structures of PmSOD1 and PmSOD2, two superoxide dismutases from the protozoan parasite Perkinsus marinus
Resolution1.86 Å
Binding residue
(original residue number in PDB)		H31 H80 D162 H166
Binding residue
(residue number reindexed from 1)		H27 H75 D157 H161
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals

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Molecular Function
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Biological Process
External links
PDB RCSB:2cw2, PDBe:2cw2, PDBj:2cw2
PDBsum2cw2
PubMed17077482
UniProtQ8ISJ0

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