2026-04-11_00000198
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ligand
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9UE4
Serine Beta-Lactamase OXA-48 in Complex with MBL/SBL Inhibitor FB3-2;
X-ray diffraction 2.18Å
Protein #1
242 residues (100% resolved)
Raw Sequence ...
EWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTF(KCX)IPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
Canonical Sequence ...
EWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
Non polymer #2
1BO
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
SMILES: CCCCO
CCCCO
Non polymer #3
A1EO2
InChI=1S/C13H14BFO5/c1-8(13(16)17)6-12-10-7-9(19-5-4-15)2-3-11(10)14(18)20-12/h2-3,7,12,18H,1,4-6H2,(H,16,17)/t12-/m1/s1
InChI=1S/C13H14BFO5/c1-8(13(16)17)6-12-10-7-9(19-5-4-15)2-3-11(10)14(18)20-12/h2-3,7,12,18H,1,4-6H2,(H,16,17)/t12-/m1/s1
SMILES: B1(c2ccc(cc2[C@H](O1)CC(=C)C(=O)O)OCCF)O
B1(c2ccc(cc2[C@H](O1)CC(=C)C(=O)O)OCCF)O
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
Download coordinates
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Model
Reference
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