Structure of PDB 2gpc Chain B Binding Site BS01

Receptor Information
>2gpc Chain B (length=194) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFSIPPLPWGYDGLAAKGLSKQQVTLHYDKHHQGYVTKLNAAAQTNSALA
TKSIEEIIRTEKGPIFNLAAQIFNHTFYWESMCPNGGGEPTGKVADEINA
SFGSFAKFKEEFTNVAVGHFGSGWAWLVKDTNSGKLKVYQTHDAGCPLTE
PNLKPLLTCDVWEHAYYVDYKNDRAAYVQTFWNVVNWKNVERQL
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain2gpc Chain B Residue 195 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gpc Systematic structural studies of iron superoxide dismutases from human parasites and a statistical coupling analysis of metal binding specificity
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H27 H75 D160 H164
Binding residue
(residue number reindexed from 1)		H27 H75 D160 H164
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:2gpc, PDBe:2gpc, PDBj:2gpc
PDBsum2gpc
PubMed19384994
UniProtQ4DI29

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