2025-01-25_00000302|ligand|9MVA

Mycobacterium abscessus Eis2 in complex with Non-hydrolyzable CoenzymeA; X-ray diffraction 1.80Å
Protein #1 412 residues (99% resolved)

SMSELTLRTIADEDDYESYMASAYSVFLRDPQKDEIEVNRKFTELDRMIGFHDGKKWVATTGAFSRHVVLPGGAVVPVAAVTAVTVSPTHRRRGLLTTMMRHQLADIRSRGESLAMLFASEALIYGRFGYGVATESAELSGQVRELAFRPTVDLGDGTLEEVSAETFLASAPAIYDAVIPGLPGQMSRTPEWWASWTLDSEELQKESGKVRFVLHYESDGTASGFAIYRPKPGWGDAGPNAELHVQEVLGTNPRSYARTWRYLLDMDLVRKIKYHGASVQEELRYLVANHPSLECVVSDAIQVRLVDIPRALAQRRYAADVDVVLEVTDDFLPENSGRYRLRGGLDHASCEITTDDADIALTVRDLGSVYMGGVSLQVLASAGLVTELRAGAVQRAATAFGWPVAPSAPDDF

SMSELTLRTIADEDDYESYMASAYSVFLRDPQKDEIEVNRKFTELDRMIGFHDGKKWVATTGAFSRHVVLPGGAVVPVAAVTAVTVSPTHRRRGLLTTMMRHQLADIRSRGESLAMLFASEALIYGRFGYGVATESAELSGQVRELAFRPTVDLGDGTLEEVSAETFLASAPAIYDAVIPGLPGQMSRTPEWWASWTLDSEELQKESGKVRFVLHYESDGTASGFAIYRPKPGWGDAGPNAELHVQEVLGTNPRSYARTWRYLLDMDLVRKIKYHGASVQEELRYLVANHPSLECVVSDAIQVRLVDIPRALAQRRYAADVDVVLEVTDDFLPENSGRYRLRGGLDHASCEITTDDADIALTVRDLGSVYMGGVSLQVLASAGLVTELRAGAVQRAATAFGWPVAPSAPDDF
Non polymer #2 CL

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

[Cl-]
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #5 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
Non polymer #6 PGE

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

C(COCCOCCO)O
Non polymer #7 SOP

InChI=1S/C24H40N7O17P3S/c1-13(32)9-52-7-6-26-15(33)4-5-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-8-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1

CC(=O)CSCCNC(=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
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Reference