2025-04-26_00000244|ligand|9MOZ

Crystal structure of mithramycin analogue MTM SA-5-methyl-Trp in complex with DNA AGAGGCCTCT; X-ray diffraction 2.23Å
DNA #1 10 bases

(DA)(DG)(DA)(DG)(DG)(DC)(DC)(DT)(DC)(DT)

AGAGGCCTCT
Non polymer #2 A1BNI

InChI=1S/C62H84N2O24/c1-24-11-12-36-34(13-24)33(23-63-36)16-37(61(75)78-10)64-60(74)58(77-9)35-15-31-14-32-17-39(84-44-19-40(52(68)27(4)80-44)85-43-18-38(65)51(67)26(3)79-43)25(2)50(66)48(32)55(71)49(31)56(72)57(35)88-46-21-41(53(69)29(6)82-46)86-45-20-42(54(70)28(5)81-45)87-47-22-62(8,76)59(73)30(7)83-47/h11-14,17,23,26-30,35,37-38,40-47,51-54,57-59,63,65-71,73,76H,15-16,18-22H2,1-10H3,(H,64,74)/t26-,27-,28-,29-,30-,35-,37+,38-,40-,41-,42-,43+,44+,45+,46+,47+,51-,52-,53-,54+,57+,58+,59-,62+/m1/s1

Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)OC)NC(=O)[C@H]([C@@H]3Cc4cc5cc(c(c(c5c(c4C(=O)[C@H]3O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)O)O)C)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)O)OC
Non polymer #3 CL

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

[Cl-]
Non polymer #4 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference