2025-05-10_00000194|ligand|9EHY

X-ray crystal structure of ADC-33 beta-lactamase in complex with ceftazidime in acyl and product forms; X-ray diffraction 1.57Å
Protein #1 362 residues (98% resolved)

MGNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSVQDKKAVNSSTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKNTPIDQVNLLQLATYTSGNLALQFPDEVKTDQQVLTFFKDWKPKNSIGEYRQYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQNYAFGYNQENQPIRVNRGPLDAAPAYGVKSTLPDMLSFIHANLNPQKYPADIQRAINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKVTAISKEPSVKMYHKTGSTNGFGTYVVFIPKENIGLVMLTNKRIPNEERIKAAYAVLNAIKK

MGNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSVQDKKAVNSSTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKNTPIDQVNLLQLATYTSGNLALQFPDEVKTDQQVLTFFKDWKPKNSIGEYRQYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQNYAFGYNQENQPIRVNRGPLDAAPAYGVKSTLPDMLSFIHANLNPQKYPADIQRAINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKVTAISKEPSVKMYHKTGSTNGFGTYVVFIPKENIGLVMLTNKRIPNEERIKAAYAVLNAIKK
Non polymer #2 A1BIM

InChI=1S/C17H19N5O8S2/c1-6-4-31-12(21-8(6)13(24)25)10(14(26)27)20-11(23)9(7-5-32-16(18)19-7)22-30-17(2,3)15(28)29/h5,10,12H,1,4H2,2-3H3,(H2,18,19)(H,20,23)(H,24,25)(H,26,27)(H,28,29)/b22-9-/t10-,12+/m0/s1

CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O
Non polymer #3 CAZ

InChI=1S/C17H19N5O7S2/c1-7-5-30-13(21-10(7)14(25)26)8(4-23)19-12(24)11(9-6-31-16(18)20-9)22-29-17(2,3)15(27)28/h4,6,8,13H,1,5H2,2-3H3,(H2,18,20)(H,19,24)(H,25,26)(H,27,28)/b22-11-/t8-,13-/m1/s1

CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O
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Reference