2026-09-26_00000030|ligand|12KE

Mycobacterial NDH-2 (type II NADH:quinone oxidoreductase) with tricyclic spirolactam inhibitor; Electron microscopy 3.00Å
Protein #1 493 residues (90% resolved)

MSHPGATASDRHKVVIIGSGFGGLTAAKTLKRADVDVKLIARTTHHLFQPLLYQVATGIISEGEIAPATRVILRKQKNAQVLLGDVTHIDLENKTVDSVLLGHTYSTPYDSLIIAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILGAFEQAERSSDPVRRAKLLTFTVVGAGPTGVEMAGQIAELADQTLRGSFRHIDPTEARVILLDAAPAVLPPMGEKLGKKARARLEKMGVEVQLGAMVTDVDRNGITVKDSDGTIRRIESACKVWSAGVSASPLGKDLAEQSGVELDRAGRVKVQPDLTLPGHPNVFVVGDMAAVEGVPGVAQGAIQGGRYAAKIIKREVSGTSPKIRTPFEYFDKGSMATVSRFSAVAKVGPVEFAGFFAWLCWLVLHLVYLVGFKTKIVTLLSWGVTFLSTKRGQLTITEQQAYARTRIEELEEIAAAVQDTEKAASFVWSTTAVSVVRIIDYKDHDGDYKDHDIDYKDDDDK

MSHPGATASDRHKVVIIGSGFGGLTAAKTLKRADVDVKLIARTTHHLFQPLLYQVATGIISEGEIAPATRVILRKQKNAQVLLGDVTHIDLENKTVDSVLLGHTYSTPYDSLIIAAGAGQSYFGNDHFAEFAPGMKSIDDALELRGRILGAFEQAERSSDPVRRAKLLTFTVVGAGPTGVEMAGQIAELADQTLRGSFRHIDPTEARVILLDAAPAVLPPMGEKLGKKARARLEKMGVEVQLGAMVTDVDRNGITVKDSDGTIRRIESACKVWSAGVSASPLGKDLAEQSGVELDRAGRVKVQPDLTLPGHPNVFVVGDMAAVEGVPGVAQGAIQGGRYAAKIIKREVSGTSPKIRTPFEYFDKGSMATVSRFSAVAKVGPVEFAGFFAWLCWLVLHLVYLVGFKTKIVTLLSWGVTFLSTKRGQLTITEQQAYARTRIEELEEIAAAVQDTEKAASFVWSTTAVSVVRIIDYKDHDGDYKDHDIDYKDDDDK
Non polymer #2 A1DCJ

InChI=1S/C30H34F6N2O2/c1-19(2)26-18-40-28-14-13-25(15-24(28)11-12-27(39)38(26)28)37(16-20-3-7-22(8-4-20)29(31,32)33)17-21-5-9-23(10-6-21)30(34,35)36/h3-10,19,24-26H,11-18H2,1-2H3/t24-,25+,26-,28-/m1/s1

CC(C)[C@H]1CO[C@@]23N1C(=O)CC[C@@H]2C[C@H](CC3)N(Cc4ccc(cc4)C(F)(F)F)Cc5ccc(cc5)C(F)(F)F
Non polymer #3 FAD

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
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