2026-07-25_00000070|ligand|37EP

Crystal Structure of Histone-lysine N-methyltransferase from Leishmania major in complex with ATP; X-ray diffraction 1.96Å

Protein #1 258 residues (95% resolved)

Raw Sequence ...

MAHHHHHHELGSGSPHDPIHLPLRRTPNGSGCYHCTTEECCCVEFEKILSNTYARVPKKRMVEVSGARQLCAKSLLTPFVTRLVRLMNITEKDTFYDFGCGNGSVLFQVAFMTGAKCVGVEISEHNADVAREAWQLLRQVLEKKYDRPMPRVEIITADLAELLSTPTYFDEEEGQTAILISNLLFPKPLTHFLSERLRSAPVGTRILCFDDLYPHARSVASYRDPGAFELFEMKDYFWQEMSVEWCSMEGRFFIHTRK

Canonical Sequence ...

Non polymer #2 ATP

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N

Non polymer #3 CL

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

SMILES: [Cl-]

[Cl-]

Non polymer #4 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #5 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 monomer

Reference