› 5x8g

X-ray diffraction
1.9Å resolution

Binary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with its product analogue OSB-NCoA at 1.90 angstrom

Released:
DOI: 10.2210/pdb5x8g/pdb
PDB entry 5x8g coloured by chain, front view.
PDB entry 5x8g coloured by chain, side view.
PDB entry 5x8g coloured by chain, top view.
Source organism: Bacillus subtilis subsp. subtilis str. 168
Primary publication:
Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode.
Chen Y, Li TL, Lin X, Li X, Li XD, Guo Z
J Biol Chem 292 12296-12310 (2017)
PMID: 28559280

Function and Biology Details

Reaction catalysed: 
ATP + 2-succinylbenzoate + CoA = AMP + diphosphate + 2-succinylbenzoyl-CoA
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-150139 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-succinylbenzoate--CoA ligase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 485 amino acids
Theoretical weight: 54.22 KDa
Source organism: Bacillus subtilis subsp. subtilis str. 168
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: P23971 (Residues: 2-486; Coverage: 100%)
Gene names: BSU30790, menE
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand S0N 4 x S0N
4 bound ligands:
Ligand MG 9 x MG
Ligand CA 8 x CA
Ligand NA 5 x NA
Ligand PEG 7 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P1
Unit cell:
a: 71.95Å b: 96.48Å c: 97.66Å
α: 80.14° β: 77.81° γ: 81.17°
R-values:
R R work R free
0.164 0.164 0.206
Expression system: Escherichia coli K-12

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Citations

4 citation in other articles

Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Witzgall et al. (2017)
3 more

2 mentions without citation

Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode.
Chen et al. (2017)
1 more