Brand  (β version)

PDB ID: 6AY5

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Ligands
Code Name Style Show Link
C3V 5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-3-methyl-1,3-benzothiazol-2(3h)-one PoSSuM
DMS Dimethyl sulfoxide PoSSuM
GOL Glycerol PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6AY5   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE inhibitor
Title : CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[D]thiazol-2(3H)-one)
Release Data : 2018-02-21
Compound :
mol_id molecule chains
1 CREB-binding protein A
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, SBDD, TRANSFERASE-TRANSFERASE inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.44 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
UniProt : Q92793 (CBP_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-lysyl-[histone] + acetyl-CoA = N(6)-acetyl-L-lysyl-[histone] + CoA + H(+) 2.3.1.48 PubMed:21131905, PubMed:24616510
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L-lysyl-[protein] + acetyl-CoA = N(6)-acetyl-L-lysyl-[protein] + CoA + H(+) - 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
(S)-lactoyl-CoA + L-lysyl-[protein] = N(6)-[(S)-lactoyl]-L- lysyl-[protein] + CoA + H(+) - PubMed:38128537
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