2025-04-12_00000348|ligand|9UDD

Crystal structure of MonCI in complex with monoepoxidized farnesyl acetate; X-ray diffraction 2.10Å
Protein #1 511 residues (92% resolved)

MNHKVHHHHHHIEGRMTTTRPAHAVVLGASMAGTLAAHVLARHVDAVTVVERDALPEEPQHRKGVPQARHAHLLWSNGARLIEEMLPGTTDRLLAAGARRLGFPEDLVTLTGQGWQHRFPATQFALVASRPLLDLTVRQQALGADNITVRQRTEAVELTGSGGGSGGRVTGVVVRDLDSGRQEQLEADLVIDATGRGSRLKQWLAALGVPALEEDVVDAGVAYATRLFKAPPGATTHFPAVNIAADDRVREPGRFGVVYPIEGGRWLATLSCTRGAQLPTHEDEFIPFAENLNHPILADLLRDAEPLTPVFGSRSGANRRLYPERLEQWPDGLLVIGDSLTAFNPIYGHGMSSAARCATTIDREFERSVQEGTGSARAGTRALQKAIGAAVDDPWILAATKDIDYVNCRVSATDPRLIGVDTEQRLRFAEAITAASIRSPKASEIVTDVMSLNAPQAELGSNRFLMAMRADERLPELTAPPFLPEELAVVGLDAATISPTPTPTPTAAVRS

MNHKVHHHHHHIEGRMTTTRPAHAVVLGASMAGTLAAHVLARHVDAVTVVERDALPEEPQHRKGVPQARHAHLLWSNGARLIEEMLPGTTDRLLAAGARRLGFPEDLVTLTGQGWQHRFPATQFALVASRPLLDLTVRQQALGADNITVRQRTEAVELTGSGGGSGGRVTGVVVRDLDSGRQEQLEADLVIDATGRGSRLKQWLAALGVPALEEDVVDAGVAYATRLFKAPPGATTHFPAVNIAADDRVREPGRFGVVYPIEGGRWLATLSCTRGAQLPTHEDEFIPFAENLNHPILADLLRDAEPLTPVFGSRSGANRRLYPERLEQWPDGLLVIGDSLTAFNPIYGHGMSSAARCATTIDREFERSVQEGTGSARAGTRALQKAIGAAVDDPWILAATKDIDYVNCRVSATDPRLIGVDTEQRLRFAEAITAASIRSPKASEIVTDVMSLNAPQAELGSNRFLMAMRADERLPELTAPPFLPEELAVVGLDAATISPTPTPTPTAAVRS
Non polymer #2 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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
Non polymer #4 YGK

InChI=1S/C17H28O3/c1-13(9-10-16-17(4,5)20-16)7-6-8-14(2)11-12-19-15(3)18/h7,11,16H,6,8-10,12H2,1-5H3/b13-7+,14-11+/t16-/m1/s1

C/C(=CCC/C(=C/COC(=O)C)/C)/CC[C@@H]1C(O1)(C)C
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Reference