2025-12-27_00000018
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ligand
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9L77
Serine Beta-Lactamase OXA-48 in complex with Dual MBL/SBL inhibitor B33;
X-ray diffraction 1.50Å
Protein #1
242 residues (100% resolved)
Raw Sequence ...
EWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTF(KCX)IPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
Canonical Sequence ...
EWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
Non polymer #2
A1EIQ
InChI=1S/C12H12BFO4/c1-6(7(2)12(15)16)11-9-4-3-8(14)5-10(9)13(17)18-11/h3-6,11,17H,2H2,1H3,(H,15,16)/t6-,11-/m1/s1
InChI=1S/C12H12BFO4/c1-6(7(2)12(15)16)11-9-4-3-8(14)5-10(9)13(17)18-11/h3-6,11,17H,2H2,1H3,(H,15,16)/t6-,11-/m1/s1
SMILES: B1(c2cc(ccc2[C@H](O1)[C@H](C)C(=C)C(=O)O)F)O
B1(c2cc(ccc2[C@H](O1)[C@H](C)C(=C)C(=O)O)F)O
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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