Structure of PDB 3kb8 Chain B Binding Site BS02

Receptor Information

>3kb8 Chain B (length=189) Species: 261594 (Bacillus anthracis str. 'Ames Ancestor')

ENLYFQSNAMMNQDIEKVLISEEQIQEKVLELGAIIAEDYKNTVPLAIGV
LKGAMPFMADLLKRTDTYLEMDFMAVSSYGHSTVSTGEVKILKDLDTSVE
GRDILIVEDIIDSGLTLSYLVDLFKYRKAKSVKIVTLLDKPTGRKVDLKA
DYVGFTVPHEFVVGYGLDYKEQYRNLPYVGVLKPSVYSN

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: 3kb8 Chain B Residue 272

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kb8 2.09 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor' in complex with GMP
• Resolution: 2.09 Å
• Binding residue (original residue number in PDB): L106 T107
• Binding residue (residue number reindexed from 1): L115 T116
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E99 D100 D103 F152 R165
• Catalytic site (residue number reindexed from 1): E108 D109 D112 F161 R174
• 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:3kb8, PDBe:3kb8, PDBj:3kb8
• PDBsum: 3kb8
• UniProt: B9ZW32