2025-03-08_00000343
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ligand
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9JUT
X-ray crystal structure of Y16524 in EP300;
X-ray diffraction 2.13Å
Protein #1
141 residues (83% resolved)
Raw Sequence ...
MKKGHHHHHHENLYFQGGSAPGQSKKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKSPMDLSTIKRKLDTGQYQEPWQYVDDIWLMFNNAWLYNRKTSRVYKYCSKLSEVFEQEIDPVMQSLG
Canonical Sequence ...
MKKGHHHHHHENLYFQGGSAPGQSKKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKSPMDLSTIKRKLDTGQYQEPWQYVDDIWLMFNNAWLYNRKTSRVYKYCSKLSEVFEQEIDPVMQSLG
Non polymer #2
A1EDM
InChI=1S/C30H34ClN5O4/c1-19(34-11-13-39-14-12-34)17-35-18-25(21-7-9-27-23(15-21)20(2)33-40-27)32-30(35)26-5-4-6-29(37)36(26)22-8-10-28(38-3)24(31)16-22/h7-10,15-16,18-19,26H,4-6,11-14,17H2,1-3H3/t19-,26-/m0/s1
InChI=1S/C30H34ClN5O4/c1-19(34-11-13-39-14-12-34)17-35-18-25(21-7-9-27-23(15-21)20(2)33-40-27)32-30(35)26-5-4-6-29(37)36(26)22-8-10-28(38-3)24(31)16-22/h7-10,15-16,18-19,26H,4-6,11-14,17H2,1-3H3/t19-,26-/m0/s1
SMILES: Cc1c2cc(ccc2on1)c3cn(c(n3)[C@@H]4CCCC(=O)N4c5ccc(c(c5)Cl)OC)C[C@H](C)N6CCOCC6
Cc1c2cc(ccc2on1)c3cn(c(n3)[C@@H]4CCCC(=O)N4c5ccc(c(c5)Cl)OC)C[C@H](C)N6CCOCC6
Biounit #1
monomer
Download coordinates
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Model
Reference
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