2025-11-29_00000077|ligand|9KRV

B. bacteriovorus MaeB acetyl-CoA bound form; Electron microscopy 3.18Å
Protein #1 776 residues (97% resolved)

METKTETKTGTTNFDQEALLYHQQGKPGKIEVISSKPCATEKDLSLAYSPGVAAPCKAIAKDPAKVYDYTAKGNLVAVISNGTAVLGLGNIGPAAGKPVMEGKGILFKQFAGIDVFDIEVAATDVDTFCNAVRVLEPTFGGINLEDIKAPECFEIEERLKKEMNIPVFHDDQHGTAIVSGAALLNACSITNRKMEDMRIVVNGAGASANSCAKIFIALGARRENIIMCDSQGVIYKGRTAGMNKYKEYFASETEARTLTEALRGADVFVGLSVAGALTPEMLKDMAKDPIIFAMANPEPEITPDKARAARPDAIIATGRSDYPNQVNNVLGFPSIFRGALDTRSTQINEEMKLAAVHALAKLARMDVPDKVSATYGGKSFKFGRDYLIPKPFDTRVLLWVAPEVAKAAMKSGVATRAIEDWDQYRESLEAQQGPSKVFIRSAINRVHQNSEANGGELPRIVFPEGTSTKVLKALATLVEERICQPILLGYPERVKEKIKALDIPLLNDVQIVHPSSHPKYFSFVEKLYSLRQRKGINLGEAERLMADPNYFAAMMVNMGEADGMVSGSSINYADAVRPILQTIGTYKEGIPAGLNFVLLEDKFLVLADTTVNFNPSAEQCAQIALQAAKIVEYFGIEPRVAMLSYSNFSGAEGTPRKMKKAAEIARTLRPDLMIEGDMQADTAVNPEIMERLFPFSGLKGGANVLVFPNLESSNIAYKLIQQIGKAEVIGPFLTGVRRSANVLQRTTTVDGIVNSVVFTALEAQFIKDALKARGKK

METKTETKTGTTNFDQEALLYHQQGKPGKIEVISSKPCATEKDLSLAYSPGVAAPCKAIAKDPAKVYDYTAKGNLVAVISNGTAVLGLGNIGPAAGKPVMEGKGILFKQFAGIDVFDIEVAATDVDTFCNAVRVLEPTFGGINLEDIKAPECFEIEERLKKEMNIPVFHDDQHGTAIVSGAALLNACSITNRKMEDMRIVVNGAGASANSCAKIFIALGARRENIIMCDSQGVIYKGRTAGMNKYKEYFASETEARTLTEALRGADVFVGLSVAGALTPEMLKDMAKDPIIFAMANPEPEITPDKARAARPDAIIATGRSDYPNQVNNVLGFPSIFRGALDTRSTQINEEMKLAAVHALAKLARMDVPDKVSATYGGKSFKFGRDYLIPKPFDTRVLLWVAPEVAKAAMKSGVATRAIEDWDQYRESLEAQQGPSKVFIRSAINRVHQNSEANGGELPRIVFPEGTSTKVLKALATLVEERICQPILLGYPERVKEKIKALDIPLLNDVQIVHPSSHPKYFSFVEKLYSLRQRKGINLGEAERLMADPNYFAAMMVNMGEADGMVSGSSINYADAVRPILQTIGTYKEGIPAGLNFVLLEDKFLVLADTTVNFNPSAEQCAQIALQAAKIVEYFGIEPRVAMLSYSNFSGAEGTPRKMKKAAEIARTLRPDLMIEGDMQADTAVNPEIMERLFPFSGLKGGANVLVFPNLESSNIAYKLIQQIGKAEVIGPFLTGVRRSANVLQRTTTVDGIVNSVVFTALEAQFIKDALKARGKK
Non polymer #2 ACO

InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1

CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Non polymer #3 NAP

InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
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Reference