2026-02-07_00000208|ligand|9RJP

Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV25a (compound 15); X-ray diffraction 2.15Å
Protein #1 272 residues (98% resolved)

GSHMTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL

GSHMTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL
Non polymer #2 A1JG2

InChI=1S/C24H29N5O8S/c1-5-11(2)19-24(35)36-13(4)16(27-21(32)17-22(33)29-38-28-17)20(31)26-15(9-14-7-6-8-25-10-14)18(30)12(3)23(34)37-19/h6-8,10,12-13,15-16,18,30H,5,9H2,1-4H3,(H,26,31)(H,27,32)(H,29,33)/b19-11-

CCC(=C1C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(nsn3)O)C)C
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