2026-03-14_00000236
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ligand
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9MAR
Serine Beta Lactamase OXA-48 in Complex with Dual MBL/SBL Inhibitor 19;
X-ray diffraction 2.37Å
Protein #1
265 residues (91% resolved)
Raw Sequence ...
MRVLALSAVFLVASIIGMPAVAKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTF(KCX)IPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
Canonical Sequence ...
MRVLALSAVFLVASIIGMPAVAKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
Non polymer #2
A1ENI
InChI=1S/C18H17BN4O5/c20-7-11-2-1-3-12(6-11)14-9-23(22-21-14)8-13-4-5-15-17(16(13)18(24)25)28-19(26)10-27-15/h1-6,9,26H,7-8,10,20H2,(H,24,25)
InChI=1S/C18H17BN4O5/c20-7-11-2-1-3-12(6-11)14-9-23(22-21-14)8-13-4-5-15-17(16(13)18(24)25)28-19(26)10-27-15/h1-6,9,26H,7-8,10,20H2,(H,24,25)
SMILES: B1(COc2ccc(c(c2O1)C(=O)O)Cn3cc(nn3)c4cccc(c4)CN)O
B1(COc2ccc(c(c2O1)C(=O)O)Cn3cc(nn3)c4cccc(c4)CN)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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