5W0I: CREBBP Bromodomain

CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one). Determined by X-ray diffraction at 1.43 Å resolution. Released 7 Mar 2018.

Method: X-ray diffraction
Resolution: 1.43 Å
Organism: Mus musculus
Chains: 1
Atoms: 1,235
Mol. weight: 18.37 kDa
Ligands: 9UA
Released: 7 Mar 2018

Explore 5W0I in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5W0I contains 7 α-helices and 0 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 7 helices, 0 β-strands

Element	Residues	Length
α-helix	1087-1102	16
α-helix	1109-1111	3
α-helix	1117-1120	4
α-helix	1125-1128	4
α-helix	1135-1143	9
α-helix	1150-1167	18
α-helix	1173-1196	24

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
CREB-binding protein	A	protein	148	Mus musculus	P45481 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5W0I_1 CREB-binding protein (chains A)
MHHHHHHGSLVPRGSMDYKDDDDKENLYFQGSKKIFKPEELRQALMPTLEALYRQDPESL
PFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNR
KTSRVYKFCSKLAEVFEQEIDPVMQSLG

Ligands and cofactors

ID	Name	Formula	Copies
9UA	1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)…	C26 H30 F2 N6 O2	1

Water and common crystallization additives (GOL, DMS) are not listed.

Primary citation

GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). Romero, F.A., Murray, J., Lai, K.W. et al. J Med Chem (2017) 60:9162-9183. DOI 10.1021/acs.jmedchem.7b00796 · PubMed

Other PDB entries of the same protein (UniProt P45481 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8CNB 1.99 Å, Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with…
4I9O 2.0 Å, Crystal Structure of GACKIX L664C Tethered to 1-10
7LVS 2.02 Å, The CBP TAZ1 Domain in Complex with a CITED2-HIF-1-Alpha Fusion Peptide
8CMZ 2.25 Å, Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with…
6DNQ 2.35 Å, HBZ77 in complex with KIX and c-Myb
5U7G 2.4 Å, Crystal Structure of the Catalytic Core of CBP
8CN0 2.44 Å, Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with…
8CNA 2.46 Å, Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a…
8OG2 2.47 Å, Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A
6DMX 2.8 Å, HBZ56 in complex with KIX and c-Myb
8CND 2.97 Å, Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a…
1F81 Solution structure of the TAZ2 domain of the transcriptional adaptor protein cbp

Browse structure collections

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