› 1q65

X-ray diffraction
2.1Å resolution

CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-8-(2-dimethylaminoethylsulfanylmethyl)-3H-QUINAZOLIN-4-ONE crystallized at pH 5.5

Released:
DOI: 10.2210/pdb1q65/pdb
PDB entry 1q65 coloured by chain, front view.
PDB entry 1q65 coloured by chain, side view.
PDB entry 1q65 coloured by chain, top view.
Source organism: Zymomonas mobilis
Primary publication:
Crystallographic study of inhibitors of tRNA-guanine transglycosylase suggests a new structure-based pharmacophore for virtual screening.
Brenk R, Meyer EA, Reuter K, Stubbs MT, Garcia GA, Diederich F, Klebe G
J Mol Biol 338 55-75 (2004)
PMID: 15050823

Function and Biology Details

Reaction catalysed: 
Guanine(34) in tRNA + 7-aminomethyl-7-carbaguanine = 7-aminomethyl-7-carbaguanine(34) in tRNA + guanine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151274 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Queuine tRNA-ribosyltransferase Chain: A
Molecule details ›
Chain: A
Length: 386 amino acids
Theoretical weight: 42.93 KDa
Source organism: Zymomonas mobilis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P28720 (Residues: 1-386; Coverage: 100%)
Gene names: ZMO0363, tgt
Sequence domains: Queuine tRNA-ribosyltransferase
Structure domains: Queuine tRNA-ribosyltransferase-like

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: C2
Unit cell:
a: 91.39Å b: 64.47Å c: 71.03Å
α: 90° β: 96.41° γ: 90°
R-values:
R R work R free
0.184 0.184 0.236
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Virtual ligand screening: strategies, perspectives and limitations.
Klebe G. (2006)
2 more