Structure of PDB 3s9f Chain A Binding Site BS02

Receptor Information
>3s9f Chain A (length=144) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGVAKHLGEALKLRKQADTADMDSLSGKTVFFYFSASWCPPCRGFTPQLV
EFYEKHHDSKNFEIILASWDEEEDDFNAYYAKMPWLSIPFANRNIVEALT
KKYSVESIPTLIGLNADTGDTVTTRARHALTQDPMGEQFPWRDE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3s9f Chain A Residue 147 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s9f The crystal structures of the tryparedoxin-tryparedoxin peroxidase couple unveil the structural determinants of Leishmania detoxification pathway.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		P90 F91
Binding residue
(residue number reindexed from 1)		P89 F90
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004791 thioredoxin-disulfide reductase (NADPH) activity
GO:0046872 metal ion binding
Biological Process
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3s9f, PDBe:3s9f, PDBj:3s9f
PDBsum3s9f
PubMed22928053
UniProtE9ADX4

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