› 4utg

X-ray diffraction
1.93Å resolution

Burkholderia pseudomallei heptokinase WcbL,AMPPNP (ATP analogue) complex.

Released:
DOI: 10.2210/pdb4utg/pdb
PDB entry 4utg coloured by chain, front view.
PDB entry 4utg coloured by chain, side view.
PDB entry 4utg coloured by chain, top view.
Source organism: Burkholderia pseudomallei K96243
Primary publication:
Unraveling the B. pseudomallei Heptokinase WcbL: From Structure to Drug Discovery.
Vivoli M, Isupov MN, Nicholas R, Hill A, Scott AE, Kosma P, Prior JL, Harmer NJ
Chem Biol 22 1622-32 (2015)
PMID: 26687481

Function and Biology Details

Reaction catalysed: 
D-glycero-beta-D-manno-heptose 7-phosphate + ATP = D-glycero-beta-D-manno-heptose 1,7-bisphosphate + ADP
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-124872 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sugar kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 346 amino acids
Theoretical weight: 37.85 KDa
Source organism: Burkholderia pseudomallei K96243
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: H7C745 (Residues: 1-346; Coverage: 100%)
Gene names: BPSL2796, gmhB, wcbL
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand ANP 2 x ANP
Ligand MG 2 x MG
Ligand CL 4 x CL
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: C2221
Unit cell:
a: 101.44Å b: 115.02Å c: 166.78Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.242
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 citation in other articles

General assay for enzymes in the heptose biosynthesis pathways using electrospray ionization mass spectrometry.
Park et al. (2017)
1 more