2024-10-26_00000147|medium|8WWQ

geniposidic acid O-methyltransferase complexed with SAH and geniposidic acid; X-ray diffraction 1.96Å
Protein #1 366 residues (95% resolved)

MGTEAKEKPESHPMNGGDDSKSYAQNSSYQKGVIEAAKAEVLLAIKEKLDFKTDWPRTFVIADYGCSTGPNTFFAMQNIVEAVELKNKSLQKPPIVDFHVFFNDLVDNDFNTLFKSLPSARNYFAAAVPGSFYERLFPKASLHLANSSYALHWLSKVPEEVRDQNSLAWNKSRTYCSGTNKEVTGAYFAQFRKDLNRFLNARAEELVGGGLLVIQLPGVPSGALPFNTGAGFLQELLGPCLFEMADLGFISHEKVYSFNLPMYFPSIEELNLVIKGNGHFTAEKIKILNHPMQQLLFDAKMTCLQFRSIFEGFIKDHFEIDIVDQLFDLYAKKLEESCSIFDQEIRKDVDLFVLLKRVLEHHHHHH

MGTEAKEKPESHPMNGGDDSKSYAQNSSYQKGVIEAAKAEVLLAIKEKLDFKTDWPRTFVIADYGCSTGPNTFFAMQNIVEAVELKNKSLQKPPIVDFHVFFNDLVDNDFNTLFKSLPSARNYFAAAVPGSFYERLFPKASLHLANSSYALHWLSKVPEEVRDQNSLAWNKSRTYCSGTNKEVTGAYFAQFRKDLNRFLNARAEELVGGGLLVIQLPGVPSGALPFNTGAGFLQELLGPCLFEMADLGFISHEKVYSFNLPMYFPSIEELNLVIKGNGHFTAEKIKILNHPMQQLLFDAKMTCLQFRSIFEGFIKDHFEIDIVDQLFDLYAKKLEESCSIFDQEIRKDVDLFVLLKRVLEHHHHHH
Non polymer #2 EDO

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

C(CO)O
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #4 SAH

InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Non polymer #5 XQ8

InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1

C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
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Reference