2026-02-07_00000202|ligand|9RJI

Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin-derivative KV29a (compound 5); X-ray diffraction 1.77Å
Protein #1 272 residues (95% resolved)

GSHMTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL

GSHMTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL
Non polymer #2 A1JG1

InChI=1S/C27H32N4O8/c1-5-14(2)23-27(37)38-16(4)21(31-24(34)18-13-29-10-8-20(18)32)25(35)30-19(11-17-7-6-9-28-12-17)22(33)15(3)26(36)39-23/h6-10,12-13,15-16,19,21-22,33H,5,11H2,1-4H3,(H,29,32)(H,30,35)(H,31,34)/b23-14-

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)c3cnccc3O)C)/C
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Reference