Structure of PDB 3esf Chain B Binding Site BS01

Receptor Information
>3esf Chain B (length=197) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAFSIPPLPWGYDGLAAKGISKEQVTFHYDKHHMGYVTKLNAAANSNPAL
AAKSVEEIIRTEKGPIFNLAAQIFNHNFYWESMSPNGGGEPSGKLAEAIR
ASFGSFAKFKEEFTNAAVGHFGSGWAWLVQDTTTKKLKVFQTHDAGCPLT
EADLKPILTCDVWEHAYYIDYKNDRPAYVQTFWNVVNWDHAENQFTR
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 chain3esf Chain B Residue 198 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3esf Systematic structural studies of iron superoxide dismutases from human parasites and a statistical coupling analysis of metal binding specificity
Resolution2.01 Å
Binding residue
(original residue number in PDB)		H28 H76 D161 H165
Binding residue
(residue number reindexed from 1)		H28 H76 D161 H165
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:3esf, PDBe:3esf, PDBj:3esf
PDBsum3esf
PubMed19384994
UniProtQ2KN30

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