2026-10-24_00000235
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ligand
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9SYK
Structure of human DNMT2 with bound competitive inhibitor;
X-ray diffraction 1.80Å
Protein #1
348 residues (91% resolved)
Raw Sequence ...
GAMEPLRVLELYSGVGGMHHALRES(CME)IPAQVVAAIDVNTVANEVYKYNFPHTQLLAKTIEGITLEEFDRLSFDMILMSPP(CSO)QPFTRIGRQGDMTDSRTNSFLHILDILPRLQKLPKYILLENVKGFEVSSTRDLLIQTIENCGFQYQEFLLSPTSLGIPNSRLRYFLIAKLQSEPLPFQAPGQVLMEFPKIESEIHRKNQQDSDLSVKMLKDFLEDDTDVNQYLLPPKSLLRYALLLDIVQPT(CSO)RRSV(CSO)FTKGYGSYIEGTGSVLQTAEDVQVENIYKSLTNLSQEEQITKLLILKLRYFTPKEIANLLGFPPEFGFPEKITVKQRYRLLGNSLNVHVVAKLIKILYE
Canonical Sequence ...
GAMEPLRVLELYSGVGGMHHALRESCIPAQVVAAIDVNTVANEVYKYNFPHTQLLAKTIEGITLEEFDRLSFDMILMSPPCQPFTRIGRQGDMTDSRTNSFLHILDILPRLQKLPKYILLENVKGFEVSSTRDLLIQTIENCGFQYQEFLLSPTSLGIPNSRLRYFLIAKLQSEPLPFQAPGQVLMEFPKIESEIHRKNQQDSDLSVKMLKDFLEDDTDVNQYLLPPKSLLRYALLLDIVQPTCRRSVCFTKGYGSYIEGTGSVLQTAEDVQVENIYKSLTNLSQEEQITKLLILKLRYFTPKEIANLLGFPPEFGFPEKITVKQRYRLLGNSLNVHVVAKLIKILYE
Non polymer #2
A1JRY
InChI=1S/C22H25F3N8O7/c23-22(24,25)11-5-10(1-2-13(11)33(38)39)6-31(4-3-12(26)21(36)37)7-14-16(34)17(35)20(40-14)32-9-30-15-18(27)28-8-29-19(15)32/h1-2,5,8-9,12,14,16-17,20,34-35H,3-4,6-7,26H2,(H,36,37)(H2,27,28,29)/t12-,14+,16+,17+,20+/m0/s1
InChI=1S/C22H25F3N8O7/c23-22(24,25)11-5-10(1-2-13(11)33(38)39)6-31(4-3-12(26)21(36)37)7-14-16(34)17(35)20(40-14)32-9-30-15-18(27)28-8-29-19(15)32/h1-2,5,8-9,12,14,16-17,20,34-35H,3-4,6-7,26H2,(H,36,37)(H2,27,28,29)/t12-,14+,16+,17+,20+/m0/s1
SMILES: c1cc(c(cc1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(F)(F)F)[N+](=O)[O-]
c1cc(c(cc1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(F)(F)F)[N+](=O)[O-]
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
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Model
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