2026-05-16_00000041|ligand|22AS

The costructure of MitM and trans-1-hydroxy-7-methoxy-2-dimethylaminomitosene with SAH; X-ray diffraction 2.80Å
Protein #1 289 residues (96% resolved)

MPHSELSELPMPSPASEEVGALYDRFTALGAASLGENLHFGYWDSPDSQVPLAEATDRLTDMMAERLRIGAGSRVLDLGCGVGTPGVRIARLSGAHVTGISVSHEQVVRANALAEEAGLADRARFQRADAMDLPFEDESFDAVIALESIIHMPDRAQVLAQVGRVLRPGGRLVLTDFFERAPLAPEGRAAVQRYLHDFMMTMVSAEAYPPLLRGAGLWLEEFLDISDQTLEKTFRLLSERINSSKQRLETQFGEEMVNQFDPGDLVGVKEFGYLLLVAQRPGKHHHHHH

MPHSELSELPMPSPASEEVGALYDRFTALGAASLGENLHFGYWDSPDSQVPLAEATDRLTDMMAERLRIGAGSRVLDLGCGVGTPGVRIARLSGAHVTGISVSHEQVVRANALAEEAGLADRARFQRADAMDLPFEDESFDAVIALESIIHMPDRAQVLAQVGRVLRPGGRLVLTDFFERAPLAPEGRAAVQRYLHDFMMTMVSAEAYPPLLRGAGLWLEEFLDISDQTLEKTFRLLSERINSSKQRLETQFGEEMVNQFDPGDLVGVKEFGYLLLVAQRPGKHHHHHH
Non polymer #2 A1E30

InChI=1S/C17H21N3O6/c1-7-13(21)12-10(15(23)16(7)25-4)8(6-26-17(18)24)11-14(22)9(19(2)3)5-20(11)12/h9,14,22H,5-6H2,1-4H3,(H2,18,24)/t9-,14+/m0/s1

CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H]([C@H]3O)N(C)C)COC(=O)N)OC
Non polymer #3 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
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Reference