Structure of PDB 6bo7 Chain E Binding Site BS02

Receptor Information

>6bo7 Chain E (length=211) Species: 5855 (Plasmodium vivax)

KIPNNPGAGENALEPIYIKDDDGYDIDTFLIPDHYKNYITKVLIPNGVLK
NRIEKLAFDIKQVYRNEEFHVICLLKGSRGFFSALLKYLNRIHNYSSTES
PKHLYVEHYVRVEDLSCLKDKHVLIVEDIIDTGKTLLKFCEYLKKFEVKT
IAITCLFIKRTPLWNGFKADFVGFSIPDAFVVGYSLDYNEKFRDLDHLCL
VNDEGIKKFRT

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6bo7 Chain E Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6bo7 Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
• Resolution: 2.856 Å
• Binding residue (original residue number in PDB): S97 T99 E100
• Binding residue (residue number reindexed from 1): S96 T98 E99
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E144 D145 D148 F197 R210
• Catalytic site (residue number reindexed from 1): E127 D128 D131 F180 R193
• Enzyme Commision number: 2.4.2.8: hypoxanthine phosphoribosyltransferase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0000287 magnesium ion binding
• GO:0004422 hypoxanthine phosphoribosyltransferase activity
• GO:0016757 glycosyltransferase activity
• GO:0046872 metal ion binding
• GO:0052657 guanine phosphoribosyltransferase activity

Biological Process

• GO:0006166 purine ribonucleoside salvage
• GO:0006178 guanine salvage
• GO:0032263 GMP salvage
• GO:0032264 IMP salvage
• GO:0046100 hypoxanthine metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:6bo7, PDBe:6bo7, PDBj:6bo7
• PDBsum: 6bo7
• PubMed: 29161011
• UniProt: A5K7E9