2026-07-25_00000071|ligand|37EQ

Crystal Structure of Histone-lysine N-methyltransferase from Leishmania major in complex with 5'-O-(glycylsulfamoyl)adenosine; X-ray diffraction 2.07Å

Protein #1 258 residues (95% resolved)

Raw Sequence ...

MAHHHHHHELGSGSPHDPIHLPLRRTPNGSGCYHCTTEECCCVEFEKILSNTYARVPKKRMVEVSGARQLCAKSLLTPFVTRLVRLMNITEKDTFYDFGCGNGSVLFQVAFMTGAKCVGVEISEHNADVAREAWQLLRQVLEKKYDRPMPRVEIITADLAELLSTPTYFDEEEGQTAILISNLLFPKPLTHFLSERLRSAPVGTRILCFDDLYPHARSVASYRDPGAFELFEMKDYFWQEMSVEWCSMEGRFFIHTRK

Canonical Sequence ...

Non polymer #2 CL

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

SMILES: [Cl-]

[Cl-]

Non polymer #3 G5A

InChI=1S/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N

Non polymer #4 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 monomer

Reference