4BD1

Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)

Summary for 4BD1

Entry DOI	10.2210/pdb4bd1/pdb
Related	1BZA 1IYO 1IYP 1IYQ 1IYS 1WE4 2WYX 2XQZ 2XR0 4BD0
Descriptor	TOHO-1 BETA-LACTAMASE, BENZO[B]THIOPHENE-2-BORONIC ACID (3 entities in total)
Functional Keywords	hydrolase, perdeuterated neutron structure, extended-spectrum beta lactamases, ctx- m-type esbls
Biological source	ESCHERICHIA COLI BL21
Total number of polymer chains	1
Total formula weight	28282.73
Authors	Tomanicek, S.J.,Weiss, K.L.,Standaert, R.F.,Ostermann, A.,Schrader, T.E.,Ng, J.D.,Coates, L. (deposition date: 2012-10-04, release date: 2013-01-16, Last modification date: 2017-03-22)
Primary citation	Tomanicek, S.J.,Standaert, R.F.,Weiss, K.L.,Ostermann, A.,Schrader, T.E.,Ng, J.D.,Coates, L. Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction. J.Biol.Chem., 288:4715-, 2013 Cited by PubMed: 23255594 DOI: 10.1074/JBC.M112.436238 PDB entries with the same primary citation
Experimental method	NEUTRON DIFFRACTION (2.002 Å)

Structure validation