3B3X

Crystal structure of class A beta-lactamase of Bacillus licheniformis BS3 with aminocitrate

Summary for 3B3X

• Entry DOI: 10.2210/pdb3b3x/pdb
• Related: 1I2S 1W7F
• Descriptor: Beta-lactamase, 2-(carboxymethyl)-D-aspartic acid (3 entities in total)
• Functional Keywords: beta-lactamase, aminocitrate, antibiotic resistance, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Bacillus licheniformis
• Total number of polymer chains: 2
• Total formula weight: 59408.88

Authors

Sauvage, E.,Herman, R.,Kerff, F.,Charlier, P. (deposition date: 2007-10-23, release date: 2007-11-13, Last modification date: 2023-11-01)

Primary citation

Beck, J.,Sauvage, E.,Charlier, P.,Marchand-Brynaert, J.
2-Aminopropane-1,2,3-tricarboxylic acid: Synthesis and co-crystallization with the class A beta-lactamase BS3 of Bacillus licheniformis
Bioorg.Med.Chem.Lett., 18:3764-3768, 2008

PubMed Abstract: The title compound 4 has been prepared in four steps from ethylglycinate in 63% overall yield. This amino analog of citric acid has been co-crystallized with the class A beta-lactamase BS3 of Bacillus licheniformis and the structure of the complex fully analyzed by X-ray diffraction. Tris-ethyl aminocitrate 3 and the free tris-acid 4 have been tested against a member beta-lactamase from all distinct subgroups. They are novel inhibitors of class A beta-lactamases, still modest but more potent than citrate and isocitrate.

PubMed: 18515103
DOI: 10.1016/j.bmcl.2008.05.045

Experimental method

X-RAY DIFFRACTION (2.5 Å)