2026-08-01_00000227|ligand|37CM

env2 cobalamin riboswitch aptamer domain in complex with ethynyl-N-cyclopropylpropiolamide-cobalamin; X-ray diffraction 2.51Å
RNA #1 76 bases

GGUAAAAGCAUAGUGGGAAAGUGACGUGAAAUUCGUCCACACGAAAGUAAGGUCAUAGUCCGAAUGCCACCUACCA

GGUAAAAGCAUAGUGGGAAAGUGACGUGAAAUUCGUCCACACGAAAGUAAGGUCAUAGUCCGAAUGCCACCUACCA
Non polymer #2 A1DMU

InChI=1S/C62H88N13O14P.C6H6NO.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;1-2-6(8)7-5-3-4-5;/h13,16,20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12,14-15,17-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);5H,3-4H2,(H,7,8);/q;;+1/p-1/b16-13-;;/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

Cc1cc2c(cc1C)N3C=[N]2[Co]456([N]7=C8C(=C9[N]4=C(C=C1[N]5=C(C(=C2N6[C@@]([C@H]7[C@@H]([C@]8(CCC(=O)NC[C@H](OP(=O)(O[C@@H]4[C@H](O[C@H]3[C@@H]4O)CO)O)C)C)CC(=O)N)([C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C([C@@H]9/C=C\C(=O)N)(C)C)C)C#CC(=O)NC1CC1
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
Non polymer #6 TRS

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1

C(C(CO)(CO)[NH3+])O
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Reference