2026-10-31_00000569|ligand|30HL

Structure of inhibitor bound PriA; X-ray diffraction 1.95Å

Protein #1 244 residues (100% resolved)

Raw Sequence ...

MPLILLPAVDVVEGRAVRLVQGKAGSQTEYGSAVDAALGWQRDGAEWIHLVDLDAAFGRGSNHELLAEVVGKLDVQVELSGGIRDDESLAAALATGCARVNVGTAALENPQWCARVIGEHGDQVAVGLDVQIIDGEHRLRGRGWETDGGDLWDVLERLDSEGCSRFVVTDITKDGTLGGPNLDLLAGVADRTDAPVIASGGVSSLDDLRAIATLTHRGVEGAIVGKALYARRFTLPQALAAVRD

Canonical Sequence ...

Non polymer #2 A1J6J

InChI=1S/C27H26O8P2S2/c1-16-24(14-26(38-16)18-6-3-8-20(12-18)34-36(28,29)30)22-10-5-11-23(22)25-15-27(39-17(25)2)19-7-4-9-21(13-19)35-37(31,32)33/h3-4,6-9,12-15H,5,10-11H2,1-2H3,(H2,28,29,30)(H2,31,32,33)

InChI=1S/C27H26O8P2S2/c1-16-24(14-26(38-16)18-6-3-8-20(12-18)34-36(28,29)30)22-10-5-11-23(22)25-15-27(39-17(25)2)19-7-4-9-21(13-19)35-37(31,32)33/h3-4,6-9,12-15H,5,10-11H2,1-2H3,(H2,28,29,30)(H2,31,32,33)

SMILES: Cc1c(cc(s1)c2cccc(c2)OP(=O)(O)O)C3=C(CCC3)c4cc(sc4C)c5cccc(c5)OP(=O)(O)O

Cc1c(cc(s1)c2cccc(c2)OP(=O)(O)O)C3=C(CCC3)c4cc(sc4C)c5cccc(c5)OP(=O)(O)O

Biounit #1 monomer

Biounit #2 monomer

Reference