2026-02-07_00000207|ligand|9RJN

Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV32a (compound 14); X-ray diffraction 2.50Å
Protein #1 272 residues (98% resolved)

GSHMTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL

GSHMTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL
Non polymer #2 A1JGZ

InChI=1S/C26H31N5O8/c1-5-13(2)21-26(37)38-15(4)18(31-24(35)19-22(33)29-10-9-28-19)23(34)30-17(11-16-7-6-8-27-12-16)20(32)14(3)25(36)39-21/h6-10,12,14-15,17-18,20,32H,5,11H2,1-4H3,(H,29,33)(H,30,34)(H,31,35)/b21-13-

CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(nccn3)O)C)/C
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Reference