2024-09-07_00000023
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ligand
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8QAZ
Crystal Structure of BRPF1 bromodomain in complex with acetyl-pyrrole derivative compound 3;
X-ray diffraction 1.40Å
Protein #1
116 residues (97% resolved)
Raw Sequence ...
SMEMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFFTMKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGGAVLRQARRQAEKMG
Canonical Sequence ...
SMEMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFFTMKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGGAVLRQARRQAEKMG
Non polymer #2
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-]
Non polymer #3
QA5
InChI=1S/C16H23N5OS/c1-8(2)5-6-11-13(10(4)22)9(3)19-14(11)12-7-23-16(20-12)21-15(17)18/h7-8,19H,5-6H2,1-4H3,(H4,17,18,20,21)
InChI=1S/C16H23N5OS/c1-8(2)5-6-11-13(10(4)22)9(3)19-14(11)12-7-23-16(20-12)21-15(17)18/h7-8,19H,5-6H2,1-4H3,(H4,17,18,20,21)
SMILES: Cc1c(c(c([nH]1)c2csc(n2)N=C(N)N)CCC(C)C)C(=O)C
Cc1c(c(c([nH]1)c2csc(n2)N=C(N)N)CCC(C)C)C(=O)C
Biounit #1
monomer
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Model
Reference
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