› 6nj0

X-ray diffraction
1.83Å resolution

Wild-type E. coli MenE with bound m phenylether-linked analogue of OSB-AMS

Released:
DOI: 10.2210/pdb6nj0/pdb
PDB entry 6nj0 coloured by chain, front view.
PDB entry 6nj0 coloured by chain, side view.
PDB entry 6nj0 coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Structure-Based Design, Synthesis, and Biological Evaluation of Non-Acyl Sulfamate Inhibitors of the Adenylate-Forming Enzyme MenE.
Evans CE, Si Y, Matarlo JS, Yin Y, French JB, Tonge PJ, Tan DS
Biochemistry 58 1918-1930 (2019)
PMID: 30912442

Function and Biology Details

Reaction catalysed: 
ATP + 2-succinylbenzoate + CoA = AMP + diphosphate + 2-succinylbenzoyl-CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153401 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-succinylbenzoate--CoA ligase Chain: A
Molecule details ›
Chain: A
Length: 451 amino acids
Theoretical weight: 50.24 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P37353 (Residues: 1-451; Coverage: 100%)
Gene names: JW2255, b2260, menE
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand KOY 1 x KOY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-1
Spacegroup: P212121
Unit cell:
a: 71.146Å b: 74.424Å c: 79.033Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.196 0.244
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Structural approaches to pathway-specific antimicrobial agents.
Johnson et al. (2020)
1 other article

1 mention without citation

Structure-Based Design, Synthesis, and Biological Evaluation of Non-Acyl Sulfamate Inhibitors of the Adenylate-Forming Enzyme MenE.
Evans et al. (2019)