2026-07-25_00000073
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ligand
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37EU
Crystal Structure of Histone-lysine N-methyltransferase from Leishmania major in complex with S-ADENOSYL-L-HOMOCYSTEINE (P21 form);
X-ray diffraction 2.10Å
Protein #1
258 residues (98% resolved)
Raw Sequence ...
MAHHHHHHELGSGSPHDPIHLPLRRTPNGSGCYHCTTEECCCVEFEKILSNTYARVPKKRMVEVSGARQLCAKSLLTPFVTRLVRLMNITEKDTFYDFGCGNGSVLFQVAFMTGAKCVGVEISEHNADVAREAWQLLRQVLEKKYDRPMPRVEIITADLAELLSTPTYFDEEEGQTAILISNLLFPKPLTHFLSERLRSAPVGTRILCFDDLYPHARSVASYRDPGAFELFEMKDYFWQEMSVEWCSMEGRFFIHTRK
Canonical Sequence ...
MAHHHHHHELGSGSPHDPIHLPLRRTPNGSGCYHCTTEECCCVEFEKILSNTYARVPKKRMVEVSGARQLCAKSLLTPFVTRLVRLMNITEKDTFYDFGCGNGSVLFQVAFMTGAKCVGVEISEHNADVAREAWQLLRQVLEKKYDRPMPRVEIITADLAELLSTPTYFDEEEGQTAILISNLLFPKPLTHFLSERLRSAPVGTRILCFDDLYPHARSVASYRDPGAFELFEMKDYFWQEMSVEWCSMEGRFFIHTRK
Non polymer #2
BTB
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
SMILES: C(CO)N(CCO)C(CO)(CO)CO
C(CO)N(CCO)C(CO)(CO)CO
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #5
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
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
SMILES: 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
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
Non polymer #6
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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