2026-03-21_00000208
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ligand
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9U3H
Serine Beta-lactamase OXA-48 in complex with dual MBL/SBL inhibitor FB1-12;
X-ray diffraction 2.18Å
Protein #1
242 residues (100% resolved)
Raw Sequence ...
EWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTF(KCX)IPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
Canonical Sequence ...
EWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
Non polymer #2
A1ENY
InChI=1S/C15H19BFN3O5/c17-5-6-19-15(18)20-7-10(8-20)24-11-2-1-9-3-4-16(23)25-13(9)12(11)14(21)22/h1-2,10,23H,3-8H2,(H2,18,19)(H,21,22)
InChI=1S/C15H19BFN3O5/c17-5-6-19-15(18)20-7-10(8-20)24-11-2-1-9-3-4-16(23)25-13(9)12(11)14(21)22/h1-2,10,23H,3-8H2,(H2,18,19)(H,21,22)
SMILES: [H]/N=C(\NCCF)/N1CC(C1)Oc2ccc3c(c2C(=O)O)OB(CC3)O
[H]/N=C(\NCCF)/N1CC(C1)Oc2ccc3c(c2C(=O)O)OB(CC3)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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Reference
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