2025-09-20_00000041|hard|9E5J

env2 cobalamin riboswitch aptamer domain in complex with ethynyl-4-methoxybenzene-cobalamin; X-ray diffraction 2.35Å
RNA #1 76 bases

(GDP)GUAAAAGCAUAGUGGGAAAGUGACGUGAAAUUCGUCCACACGAAAGUAAGGUCAUAGUCCGAAUGCCACCUACCA

GGUAAAAGCAUAGUGGGAAAGUGACGUGAAAUUCGUCCACACGAAAGUAAGGUCAUAGUCCGAAUGCCACCUACCA
Non polymer #2 A1BES

InChI=1S/C62H90N13O14P.C9H7O.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-3-8-4-6-9(10-2)7-5-8;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);4-7H,2H3;/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C(C8=[N+]9C(=CC1=[N+]2[Co]9(N76)([N+]5=C4C(=C2[C@H](C1(C)C)CCC(=O)N)C)C#Cc1ccc(cc1)OC)[C@H]([C@]8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
Non polymer #3 K

InChI=1S/K/q+1

[K+]
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #5 N3D

InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3

CNCCCN
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Reference