› 5w8v

X-ray diffraction
2.35Å resolution

HUMAN HGPRT in complex with [(2-[(guanin-9-yl)methyl]propane-1,3-diyl)bis(oxy)]bis(methylene)diphosphonic acid

Released:
DOI: 10.2210/pdb5w8v/pdb
PDB entry 5w8v coloured by chain, front view.
PDB entry 5w8v coloured by chain, side view.
PDB entry 5w8v coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis and Evaluation of Asymmetric Acyclic Nucleoside Bisphosphonates as Inhibitors of Plasmodium falciparum and Human Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase.
Špaček P, Keough DT, Chavchich M, Dračínský M, Janeba Z, Naesens L, Edstein MD, Guddat LW, Hocková D
J Med Chem 60 7539-7554 (2017)
PMID: 28813147

Function and Biology Details

Reaction catalysed: 
IMP + diphosphate = hypoxanthine + 5-phospho-alpha-D-ribose 1-diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132564 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Hypoxanthine-guanine phosphoribosyltransferase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 215 amino acids
Theoretical weight: 24.22 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00492 (Residues: 5-218; Coverage: 98%)
Gene names: HPRT, HPRT1
Sequence domains: Phosphoribosyl transferase domain
Structure domains: Rossmann fold

Ligands and Environments

2 bound ligands:
Ligand 9YP 4 x 9YP
Ligand MG 4 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 56.667Å b: 128.399Å c: 65.326Å
α: 90° β: 102.98° γ: 90°
R-values:
R R work R free
0.198 0.196 0.249
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Phosphonate prodrugs: an overview and recent advances.
Heidel et al. (2019)
2 other articles