2025-09-13_00000194|ligand|9RP0

Ensemble refined structure of CotB2 in complex with 2-fluoro-3,7,18-dolabellatriene; X-ray diffraction 1.80Å
Protein #1 318 residues (94% resolved)

MTTGLSTAGAQDIGRSSVRPYLEECTRRFQEMFDRHVVTRPTKVELTDAELREVIDDCNAAVAPLGKTVSDERWISYVGVVLWSQSPRHIKDMEAFKAVCVLNCVTFVWDDMDPALHDFGLFLPQLRKICEKYYGPEDAEVAYEAARAFVTSDHMFRDSPIKAALCTTSPEQYFRFRVTDIGVDFWMKMSYPIYRHPEFTEHAKTSLAARMTTRGLTIVNDFYSYDREVSLGQITNCFRLCDVSDETAFKEFFQARLDDMIEDIECIKAFDQLTQDVFLDLIYGNFVWTTSNKRYKTAVNDVNSRIQAAALEHHHHHH

MTTGLSTAGAQDIGRSSVRPYLEECTRRFQEMFDRHVVTRPTKVELTDAELREVIDDCNAAVAPLGKTVSDERWISYVGVVLWSQSPRHIKDMEAFKAVCVLNCVTFVWDDMDPALHDFGLFLPQLRKICEKYYGPEDAEVAYEAARAFVTSDHMFRDSPIKAALCTTSPEQYFRFRVTDIGVDFWMKMSYPIYRHPEFTEHAKTSLAARMTTRGLTIVNDFYSYDREVSLGQITNCFRLCDVSDETAFKEFFQARLDDMIEDIECIKAFDQLTQDVFLDLIYGNFVWTTSNKRYKTAVNDVNSRIQAAALEHHHHHH
Non polymer #2 2PE

InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2

C(COCCOCCOCCOCCOCCOCCOCCOCCO)O
Non polymer #3 CCN

InChI=1S/C2H3N/c1-2-3/h1H3

CC#N
Non polymer #4 CL

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

[Cl-]
Non polymer #5 EXW

InChI=1S/C20H31F/c1-14(2)17-11-12-20(5)13-19(21)16(4)8-6-7-15(3)9-10-18(17)20/h7,17-18H,1,6,8-13H2,2-5H3/b15-7?,19-16-/t17-,18+,20+/m0/s1

CC1=CCCC(=C(C[C@]2(CC[C@H]([C@H]2CC1)C(=C)C)C)F)C
Non polymer #6 K

InChI=1S/K/q+1

[K+]
Non polymer #7 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #8 MPD

InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1

C[C@@H](CC(C)(C)O)O
Non polymer #9 PPV

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

OP(=O)(O)OP(=O)(O)O
Download coordinates
Reference