Brand  (β version)

PDB ID: 5W0E

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Ligands
Code Name Style Show Link
9U4 3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-C]pyridine-5-carboxamide PoSSuM
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Structure summary

Code : 5W0E   PDBj   RCSB PDB   PDBe
Header : TRANSCRIPTION REGULATOR/INHIBITOR
Title : CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-C]pyridine-5-carboxamide)
Release Data : 2018-02-21
Compound :
mol_id molecule chains
1 CREB-binding protein A
ec: 2.3.1.48
fragment: Bromodomain, UNP residues 1082-1197
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, small molecule inhibitor, TRANSCRIPTION REGULATOR-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.4100 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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