› 6szh

X-ray diffraction
1.65Å resolution

Acinetobacter baumannii undecaprenyl pyrophosphate synthase (AB-UppS) in complex with GW197

Released:
DOI: 10.2210/pdb6szh/pdb
PDB entry 6szh coloured by chain, front view.
PDB entry 6szh coloured by chain, side view.
PDB entry 6szh coloured by chain, top view.
Source organism: Acinetobacter baumannii
Primary publication:
Cocktailed fragment screening by X-ray crystallography of the antibacterial target undecaprenyl pyrophosphate synthase from Acinetobacter baumannii.
Thorpe JH, Wall ID, Sinnamon RH, Taylor AN, Stavenger RA
Acta Crystallogr F Struct Biol Commun 76 40-46 (2020)
PMID: 31929185

Function and Biology Details

Reaction catalysed: 
(2E,6E)-farnesyl diphosphate + 8 isopentenyl diphosphate = 8 diphosphate + di-trans,octa-cis-undecaprenyl diphosphate
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-197644 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) Chains: A, B
Molecule details ›
Chains: A, B
Length: 270 amino acids
Theoretical weight: 30.9 KDa
Source organism: Acinetobacter baumannii
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: V5VCK8 (Residues: 1-250; Coverage: 100%)
Gene names: A7M90_02080, ABR2091_2116, AUO97_17750, B9W25_09060, B9X95_06890, CBE85_15965, CV954_008120, DOL94_09555, EA722_15190, F4T85_10645, FJU42_12680, FJU79_02235, FPK81_03580, FQZ18_08435, G3N53_05290, GSE42_11690, H0529_03520, IAG11_09875, J6E47_08315, LV35_03692, SAMEA104305318_03206, SAMEA4394745_01590, ispU, uppS
Sequence domains: Putative undecaprenyl diphosphate synthase

Ligands and Environments

2 bound ligands:
Ligand CA 1 x CA
Ligand M2H 1 x M2H
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: C2
Unit cell:
a: 120.3Å b: 64.12Å c: 71.6Å
α: 90° β: 92.7° γ: 90°
R-values:
R R work R free
0.185 0.183 0.212
Expression system: Escherichia coli K-12

Quick links

Citations

1 mention without citation

Cocktailed fragment screening by X-ray crystallography of the antibacterial target undecaprenyl pyrophosphate synthase from Acinetobacter baumannii.
Thorpe et al. (2020)