2026-01-10_00000489
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ligand
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9ZOV
OXA-23-JDB/PQ-1-219, 60 min complex;
X-ray diffraction 1.50Å
Protein #1
273 residues (90% resolved)
Raw Sequence ...
MNKYFTCYVVASLFLSGCTVQHNLINETPSQIVQGHNQVIHQYFDEKNTSGVLVIQTDKKINLYGNALSRANTEYVPASTFKMLNALIGLENQKTDINEIFKWKGEKRSFTAWEKDMTLGEAMKLSAVPVYQELARRIGLDLMQKEVKRIGFGNAEIGQQVDNFWLVGPLKVTPIQEVEFVSQLAHTQLPFSEKVQANVKNMLLLEESNGYKIFGKTGWAMDIKPQVGWLTGWVEQPDGKIVAFALNMEMRSEMPASIRNELLMKSLKQLNII
Canonical Sequence ...
MNKYFTCYVVASLFLSGCTVQHNLINETPSQIVQGHNQVIHQYFDEKNTSGVLVIQTDKKINLYGNALSRANTEYVPASTFKMLNALIGLENQKTDINEIFKWKGEKRSFTAWEKDMTLGEAMKLSAVPVYQELARRIGLDLMQKEVKRIGFGNAEIGQQVDNFWLVGPLKVTPIQEVEFVSQLAHTQLPFSEKVQANVKNMLLLEESNGYKIFGKTGWAMDIKPQVGWLTGWVEQPDGKIVAFALNMEMRSEMPASIRNELLMKSLKQLNII
Non polymer #2
A1C3I
InChI=1S/C13H16N2O5S/c1-6(16)9(11(17)18)13(2)3-8(10(15-13)12(19)20)21-7-4-14-5-7/h3-4,6-7,9,16H,5H2,1-2H3,(H,17,18)(H,19,20)/t6-,7+,9+,13-/m1/s1
InChI=1S/C13H16N2O5S/c1-6(16)9(11(17)18)13(2)3-8(10(15-13)12(19)20)21-7-4-14-5-7/h3-4,6-7,9,16H,5H2,1-2H3,(H,17,18)(H,19,20)/t6-,7+,9+,13-/m1/s1
SMILES: C[C@H]([C@@H](C(=O)O)[C@]1(C=C(C(=N1)C(=O)O)S[C@@H]2CN=C2)C)O
C[C@H]([C@@H](C(=O)O)[C@]1(C=C(C(=N1)C(=O)O)S[C@@H]2CN=C2)C)O
Non polymer #3
CO2
InChI=1S/CO2/c2-1-3
InChI=1S/CO2/c2-1-3
SMILES: C(=O)=O
C(=O)=O
Non polymer #4
MPD
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
SMILES: C[C@@H](CC(C)(C)O)O
C[C@@H](CC(C)(C)O)O
Biounit #1
monomer
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Model
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