2026-10-03_00000223|ligand|9VLP

Co-crystal structure of PA3774 bound to a trifluoromethyl oxadiazole inhibitor; X-ray diffraction 1.50Å
Protein #1 384 residues (98% resolved)

MTRRTAFFFDELCLWHAAGPHALTLPVGGWVQPPAAAGHAESPETKRRLKSLLDVSGLTARLQLRSAPPASDEDLLRVHPAHYLERFKALSDAGGGSLGQDAPIGPGSYEIARLSAGLAIAALDAVLAGEADNAYSLSRPPGHHCLPDQAMGFCFFANIAVAIEAAKARHGVERVAVLDWDVHHGNGTQAIYYRRDDVLSISLHQDGCFPPGYSGAEDIGEDRGRGFNLNVPLLPGGGHDAYMQAMQRIVLPALERFRPQLIVVASGFDANAVDPLARMQLHSDSFRAMTAMVRDAAERHAGGRLVVVHEGGYSEAYVPFCGLAVIEELSGVRSAVRDPLRDFIELQQPNAAFRDFQRQRLEELAAQFGLCPAQPLQAARVDAL

MTRRTAFFFDELCLWHAAGPHALTLPVGGWVQPPAAAGHAESPETKRRLKSLLDVSGLTARLQLRSAPPASDEDLLRVHPAHYLERFKALSDAGGGSLGQDAPIGPGSYEIARLSAGLAIAALDAVLAGEADNAYSLSRPPGHHCLPDQAMGFCFFANIAVAIEAAKARHGVERVAVLDWDVHHGNGTQAIYYRRDDVLSISLHQDGCFPPGYSGAEDIGEDRGRGFNLNVPLLPGGGHDAYMQAMQRIVLPALERFRPQLIVVASGFDANAVDPLARMQLHSDSFRAMTAMVRDAAERHAGGRLVVVHEGGYSEAYVPFCGLAVIEELSGVRSAVRDPLRDFIELQQPNAAFRDFQRQRLEELAAQFGLCPAQPLQAARVDAL
Non polymer #2 A1ESN

InChI=1S/C20H17F3N4O5S/c1-31-26-16(12-7-9-15(10-8-12)33(2,29)30)11-24-18(28)14-5-3-13(4-6-14)17-25-19(32-27-17)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,28)/b26-16+

CO/N=C(\CNC(=O)c1ccc(cc1)c2nc(on2)C(F)(F)F)/c3ccc(cc3)S(=O)(=O)C
Non polymer #3 K

InChI=1S/K/q+1

[K+]
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference