o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis in Complex with the Acyl-adenylate Intermediate OSB-AMP

Summary for 5GTD

Descriptor2-succinylbenzoate--CoA ligase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... (8 entities in total)
Functional Keywordsadenylate-forming enzyme, adenylate intermdiate, osbamp, in-line backside nucleophilic substitution, strained conformation, ligase
Biological sourceBacillus subtilis (strain 168)
Total number of polymer chains2
Total molecular weight112018.39
Chen, Y.,Guo, Z. (deposition date: 2016-08-20, release date: 2017-01-04)
Primary citation
Chen, Y.,Jiang, Y.,Guo, Z.
Mechanistic Insights from the Crystal Structure of Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase Complexed with the Adenylate Intermediate
Biochemistry, 55:6685-6695, 2016
PubMed: 27933791 (PDB entries with the same primary citation)
DOI: 10.1021/acs.biochem.6b00889
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.248110.2%02.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution