› 8cri

X-ray diffraction
2.1Å resolution

Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes)

Released:
DOI: 10.2210/pdb8cri/pdb
PDB entry 8cri coloured by chain, front view.
PDB entry 8cri coloured by chain, side view.
PDB entry 8cri coloured by chain, top view.
Source organism: Listeria monocytogenes
Primary publication:
A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Dienemann JN, Chen SY, Hitzenberger M, Sievert ML, Hacker SM, Prigge ST, Zacharias M, Groll M, Sieber SA
Angew Chem Int Ed Engl e202304533 (2023)
PMID: 37249408

Function and Biology Details

Reaction catalysed: 
(1a) ATP + (R)-lipoate = lipoyl-AMP + diphosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-217159 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
lipoate--protein ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 335 amino acids
Theoretical weight: 38.42 KDa
Source organism: Listeria monocytogenes
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A1D2IX29 (Residues: 1-331; Coverage: 100%)
Gene names: AF817_03905, AF817_17765, AP104_10135, APD71_01545, APD71_16675, APD94_04200, APD94_16795, B4X68_06660, CD20_08740, CD20_16520, D4271_05835, D4271_17085, D4C60_07100, D4C60_17245, D4D89_06525, D4D89_17125, D4U23_01750, D4U23_16900, D5M70_06520, D5M70_16320, E0I30_08170, E0I30_16255, E0I39_06590, E0I39_16500, E1V33_06915, E1W43_02450, E1W43_16025, EYJ21_07145, EYJ21_16790, EZM42_04585, F1788_03830, F1788_14940, FJL03_07620, FJL03_16380, FJU19_06430, FJU19_16220, FPL45_05185, G3R95_001339, G3R95_003435, G3R97_001338, G3R97_003410, GCV64_03860, GCV64_15645, GHO09_07585, GHO09_16085, GT011_03885, GT011_16715, GYO01_03035, GYP27_11270, GYP27_15895, GYU24_04270, GYU24_17075, GZK27_12260
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand LPA 1 x LPA
Ligand CL 1 x CL
Ligand SO4 1 x SO4
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21
Unit cell:
a: 58.87Å b: 72.79Å c: 93.05Å
α: 90° β: 98.04° γ: 90°
R-values:
R R work R free
0.225 0.223 0.251
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 mention without citation

A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Dienemann et al. (2023)