2026-01-10_00000485|ligand|9ZOR

OXA-23-JDB/PQ-1-219, 10 min complex; X-ray diffraction 1.65Å

Protein #1 273 residues (90% resolved)

Raw Sequence ...

MNKYFTCYVVASLFLSGCTVQHNLINETPSQIVQGHNQVIHQYFDEKNTSGVLVIQTDKKINLYGNALSRANTEYVPASTF(KCX)MLNALIGLENQKTDINEIFKWKGEKRSFTAWEKDMTLGEAMKLSAVPVYQELARRIGLDLMQKEVKRIGFGNAEIGQQVDNFWLVGPLKVTPIQEVEFVSQLAHTQLPFSEKVQANVKNMLLLEESNGYKIFGKTGWAMDIKPQVGWLTGWVEQPDGKIVAFALNMEMRSEMPASIRNELLMKSLKQLNII

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

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 MPD

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

Reference