pone.0258359.s001.tif (3.22 MB)
Temperature factor comparison of the PBP3 vaborbactam complex and β-lactam, monobactam, and DBO PBP3 complexes.
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posted on 2021-10-15, 17:24 authored by Vijay Kumar, Samantha L. Viviani, Jeeda Ismail, Shreya Agarwal, Robert A. Bonomo, Focco van den AkkerA-F, the view, and orientation are the same as in Fig 6. The temperature factor of each atom is color ramped in Pymol (spectrum b blue_white_red minimum = 30, maximum = 80).
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pseudomonas aeruginosa protein thermal stabilityoften observed ligandinsights could formdiv >< pcould also formcephalosporins among gram262 9562 176vaborbactam hydrogen bondspbp3 structures boundbound pbp3 harborsboronic acid βbinding protein 3based pbp inhibitorsvaborbactam complex revealscyclic boronate ringcyclic boronatethiophene ringenzyme complexvaborbactam formspbp3 increasedinhibited pbp3widely distributedstructural similaritiesstructural analysisresidues involvedpotent βperiplasmic enzymesnegative bacterialeading causelactamase inhibitorlactam antibioticsinvestigated whetherinduced formationhydrophobic bridgecrystallographic analysiscovalent bondcatalytic s294carboxyl groupbinding proteinsbacterial worldbackbone oxygenamide moietyactive site
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