› 1ru1

X-ray diffraction
1.4Å resolution

CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI HPPK(V83G/DEL84-89) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.40 ANGSTROM RESOLUTION (MONOCLINIC FORM)

Released:
DOI: 10.2210/pdb1ru1/pdb
PDB entry 1ru1 coloured by chain, front view.
PDB entry 1ru1 coloured by chain, side view.
PDB entry 1ru1 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Essential roles of a dynamic loop in the catalysis of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Blaszczyk J, Li Y, Wu Y, Shi G, Ji X, Yan H
Biochemistry 43 1469-77 (2004)
PMID: 14769023

Function and Biology Details

Reaction catalysed: 
ATP + 6-hydroxymethyl-7,8-dihydropterin = AMP + 6-hydroxymethyl-7,8-dihydropterin diphosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150686 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 152 amino acids
Theoretical weight: 17.09 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P26281 (Residues: 2-159; Coverage: 96%)
Gene names: JW0138, b0142, folK
Sequence domains: 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase (HPPK)
Structure domains: 7,8-Dihydro-6-hydroxymethylpterin-pyrophosphokinase HPPK

Ligands and Environments

4 bound ligands:
Ligand MG 4 x MG
Ligand CL 1 x CL
Ligand APC 2 x APC
Ligand PH2 2 x PH2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X9B
Spacegroup: P21
Unit cell:
a: 52.797Å b: 68.752Å c: 36.491Å
α: 90° β: 90.5° γ: 90°
R-values:
R R work R free
0.15 0.135 0.198
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Utility of the Biosynthetic Folate Pathway for Targets in Antimicrobial Discovery.
Bourne CR. (2014)
3 more

2 mentions without citation

Rapid catalytic template searching as an enzyme function prediction procedure.
Nilmeier et al. (2013)
1 more