› 4aql

X-ray diffraction
1.99Å resolution

HUMAN GUANINE DEAMINASE IN COMPLEX WITH VALACYCLOVIR

Released:
DOI: 10.2210/pdb4aql/pdb
PDB entry 4aql coloured by chain, front view.
PDB entry 4aql coloured by chain, side view.
PDB entry 4aql coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pan-pathway based interaction profiling of FDA-approved nucleoside and nucleobase analogs with enzymes of the human nucleotide metabolism.
Egeblad L, Welin M, Flodin S, Gräslund S, Wang L, Balzarini J, Eriksson S, Nordlund P
PLoS One 7 e37724 (2012)
PMID: 22662200

Function and Biology Details

Reaction catalysed: 
Guanine + H(2)O = xanthine + NH(3)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195156 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Guanine deaminase Chain: A
Molecule details ›
Chain: A
Length: 476 amino acids
Theoretical weight: 53.62 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y2T3 (Residues: 1-454; Coverage: 100%)
Gene names: GDA, KIAA1258
Sequence domains: Amidohydrolase family
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ZN 1 x ZN
Ligand TXC 1 x TXC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: C2221
Unit cell:
a: 86.729Å b: 91.383Å c: 131.913Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.18 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Repurposing of nucleoside- and nucleobase-derivative drugs as antibiotics and biofilm inhibitors.
Yssel et al. (2017)
4 other articles

6 mentions without citation

Nucleobase deaminases: a potential enzyme system for new therapies.
Gaded et al. (2018)
5 more