Structure of PDB 2geb Chain A Binding Site BS01

Receptor Information

>2geb Chain A (length=184) Species: 119072 (Caldanaerobacter subterraneus subsp. tengcongensis)

RGSHMPSPMEDIEEILITEEQLKAKVKELGEMITRDYEGKDLVLIGVLKG
AIMFMSGLSRAIDLPLSIDFLAVSSYGSSTKSSGIVKIIKDHDIDIEGKD
VLIVEDIIDSGLTLAYLRETLLGRKPRSLKICTILDKPERREADVKVDYC
GFKIPDKFVVGYGIDYAEKYRNLPFIGVLKPELY

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2geb Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2geb Crystal structure of Thermoanaerobacter tengcongensis hypoxanthine-guanine phosphoribosyl transferase L160I mutant--insights into inhibitor design.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): E101 D102
• Binding residue (residue number reindexed from 1): E105 D106
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E101 D102 D105 F154 R167
• Catalytic site (residue number reindexed from 1): E105 D106 D109 F158 R171
• 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:2geb, PDBe:2geb, PDBj:2geb
• PDBsum: 2geb
• PubMed: 17662107
• UniProt: Q8R7L0