Structure of PDB 7din Chain A Binding Site BS01

Receptor Information
>7din Chain A (length=106) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAVKKWVNKIIEENIIAVFAKTECPYCIKAISILKGYNLNSHMHVENIEK
NPDMANIQAYLKELTGKSSVPRIFINKDVVGGCDDLVKENDEGKLKERLQ
KLGLVN
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain7din Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7din Interaction of metals with PfGrx1
Resolution1.799 Å
Binding residue
(original residue number in PDB)		H49 E51
Binding residue
(residue number reindexed from 1)		H44 E46
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.4.2: protein-disulfide reductase (glutathione).
Gene Ontology
Molecular Function
GO:0015038 glutathione disulfide oxidoreductase activity
GO:0016209 antioxidant activity
GO:0016491 oxidoreductase activity
GO:0019153 protein-disulfide reductase (glutathione) activity
GO:0046872 metal ion binding
Biological Process
GO:0098869 cellular oxidant detoxification

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Molecular Function
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Biological Process
External links
PDB RCSB:7din, PDBe:7din, PDBj:7din
PDBsum7din
PubMed
UniProtQ9NLB2

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