2026-02-07_00000203|ligand|9RJJ

Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV37a (compound 9); X-ray diffraction 2.08Å
Protein #1 272 residues (98% resolved)

GSHMTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL

GSHMTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL
Non polymer #2 A1JG0

InChI=1S/C28H33N3O9/c1-5-14(2)24-28(38)39-16(4)21(31-25(35)18-9-6-10-20(32)23(18)34)26(36)30-19(12-17-8-7-11-29-13-17)22(33)15(3)27(37)40-24/h6-11,13,15-16,19,21-22,32-34H,5,12H2,1-4H3,(H,30,36)(H,31,35)/b24-14-

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)c3cccc(c3O)O)C)/C
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Reference