Structure of PDB 4yet Chain B Binding Site BS01

Receptor Information
>4yet Chain B (length=200) Species: 5865 (Babesia bovis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMAFKLPALPYGMRELIPHISEETLSFHYGKHHAGYVNKLNSLIKGTPME
SCTIEELILGQTGAVFNNAAQIWNHTFYWNSMGPNCGGEPTGPIRKKIEE
KFGSFSAFKTDFSNLLAGHFGSGWGWLVLKDDGTADIVQTHDAGSPLKEN
LGRPLLCCDVWEHAYYIDYKNDRLSYINSWWNLVNWDFANKNLEAPFKWS
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 chain4yet Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yet Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H27 H74 D158 H162
Binding residue
(residue number reindexed from 1)		H28 H75 D159 H163
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:4yet, PDBe:4yet, PDBj:4yet
PDBsum4yet
PubMed25961325
UniProtO15904

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