2026-08-22_00000162
|
ligand
|
29GE
Crystal structure of human METTL1 in complex with OBV617 (compound B19);
X-ray diffraction 2.89Å
Protein #1
252 residues (82% resolved)
Raw Sequence ...
MHHHHHHSSGRENLYFQGDHTLRYPVKPEEMDWSELYPEFFAPLTQNQSHDDPKDKKEKRAQAQVEFADIGCGYGGLLVELSPLFPDTLILGLEIRVKVSDYVQDRIRALRAAPAGGFQNIACLRSNAMKHLPNFFYKGQLTKMFFLFPDPHFKRTKHKWRIISPTLLAEYAYVLRVGGLVYTITDVLELHDWMCTHFEEHPLFERVPLEDLSEDPVVGHLGTSTEEGKKVLRNGGKNFPAIFRRIQDPVLQ
Canonical Sequence ...
MHHHHHHSSGRENLYFQGDHTLRYPVKPEEMDWSELYPEFFAPLTQNQSHDDPKDKKEKRAQAQVEFADIGCGYGGLLVELSPLFPDTLILGLEIRVKVSDYVQDRIRALRAAPAGGFQNIACLRSNAMKHLPNFFYKGQLTKMFFLFPDPHFKRTKHKWRIISPTLLAEYAYVLRVGGLVYTITDVLELHDWMCTHFEEHPLFERVPLEDLSEDPVVGHLGTSTEEGKKVLRNGGKNFPAIFRRIQDPVLQ
Non polymer #2
A1J17
InChI=1S/C21H25N7O6/c22-18-14-19(24-9-23-18)28(10-25-14)21-16(32)15(31)17(34-21)20(33)27-5-3-26(4-6-27)8-11-1-2-12(29)7-13(11)30/h1-2,7,9-10,15-17,21,29-32H,3-6,8H2,(H2,22,23,24)/t15-,16+,17-,21+/m0/s1
InChI=1S/C21H25N7O6/c22-18-14-19(24-9-23-18)28(10-25-14)21-16(32)15(31)17(34-21)20(33)27-5-3-26(4-6-27)8-11-1-2-12(29)7-13(11)30/h1-2,7,9-10,15-17,21,29-32H,3-6,8H2,(H2,22,23,24)/t15-,16+,17-,21+/m0/s1
SMILES: c1cc(c(cc1O)O)CN2CCN(CC2)C(=O)[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O
c1cc(c(cc1O)O)CN2CCN(CC2)C(=O)[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O
Non polymer #3
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
monomer
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Model
Reference
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