2024-09-07_00000025
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ligand
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8QB2
Crystal Structure of BRPF1 bromodomain in complex with acetyl-pyrrole derivative compound 79;
X-ray diffraction 1.42Å
Protein #1
116 residues (97% resolved)
Raw Sequence ...
SMEMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFFTMKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGGAVLRQARRQAEKMG
Canonical Sequence ...
SMEMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFFTMKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGGAVLRQARRQAEKMG
Non polymer #2
GKI
InChI=1S/C19H28N4OS/c1-12(2)5-6-15-17(14(4)24)13(3)21-18(15)16-11-25-19(22-16)23-9-7-20-8-10-23/h11-12,20-21H,5-10H2,1-4H3
InChI=1S/C19H28N4OS/c1-12(2)5-6-15-17(14(4)24)13(3)21-18(15)16-11-25-19(22-16)23-9-7-20-8-10-23/h11-12,20-21H,5-10H2,1-4H3
SMILES: Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(C)C)C(=O)C
Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(C)C)C(=O)C
Non polymer #3
NO3
InChI=1S/NO3/c2-1(3)4/q-1
InChI=1S/NO3/c2-1(3)4/q-1
SMILES: [N+](=O)([O-])[O-]
[N+](=O)([O-])[O-]
Biounit #1
monomer
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Model
Reference
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