Brand  (β version)

PDB ID: 6AY3

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Ligands
Code Name Style Show Link
C3J 5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-N-methyl-1h-indole-3-carboxamide PoSSuM
EDO 1,2-ethanediol PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6AY3   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE inhibitor
Title : CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide)
Release Data : 2018-02-21
Compound :
mol_id molecule chains
1 CREB-binding protein A,B
ec: 2.3.1.48
fragment: Bromodomain (UNP residue 1083-1197)
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: CREBBP, CBP
Authors : Murray, J.M.
Keywords : CREBBP, Bromodomain, TRANSFERASE-TRANSFERASE inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.3910 Å )
Citation :

A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.

Bronner, S.M.,Murray, J.,Romero, F.A.  et al.
(2017)  J. Med. Chem.  60 : 10151 - 10171

PubMed: 29155580
DOI: 10.1021/acs.jmedchem.7b01372

Reaction

Chain : A, B
UniProt : Q92793 (CBP_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
acetyl-CoA + L-lysyl-[histone] = CoA + H(+) + N(6)-acetyl-L- lysyl-[histone] 2.3.1.48 PubMed:24616510
left-to-right
acetyl-CoA + L-lysyl-[protein] = CoA + H(+) + N(6)-acetyl-L- lysyl-[protein] - PubMed:11154691, PubMed:12738767, PubMed:24207024, PubMed:24939902, PubMed:30540930, PubMed:35675826
left-to-right PubMed:11154691, PubMed:12738767, PubMed:24207024, PubMed:24939902, PubMed:28790157, PubMed:30540930, PubMed:35675826