Computational protocol: Crystal structures of penicillin‐binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms

Similar protocols

Protocol publication

[…] X‐ray diffraction data were collected at 100K at beam lines I04‐1 and I02, Diamond Light Source. Diffraction images were indexed, integrated and merged with HKL2000 . The structures were solved using molecular replacement program MOLREP implemented in CCP4 suite and coordinates of the PBP3–piperacillin complex (PDB code 4KQO) as search model. Structures were refined with PHENIX and model rebuilding was performed with COOT . The coordinates and structure factors have been deposited in the Protein Data Bank under accession numbers 5DF7 (PBP3–azlocillin AEC), 5DF8 (PBP3–cefoperazone AEC) and 5DF9 (PBP3–ACA complex). […]

Pipeline specifications

Software tools Molrep, CCP4, PHENIX, Coot
Applications Small-angle scattering, Protein structure analysis
Organisms Pseudomonas aeruginosa
Diseases Infection
Chemicals Azlocillin, Cefoperazone, Penicillins