2026-07-25_00000072|ligand|37ET

Crystal Structure of Histone-lysine N-methyltransferase from Leishmania major in complex with O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE; X-ray diffraction 2.09Å

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 GSU

InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1

InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1

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

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

Non polymer #4 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 monomer

Reference