6AXQ: CREBBP bromodomain

CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate). Determined by X-ray diffraction at 1.3 Å resolution. Released 21 Feb 2018.

Method: X-ray diffraction
Resolution: 1.3 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,415
Mol. weight: 55.42 kDa
Ligands: C2Y
Released: 21 Feb 2018

Explore 6AXQ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6AXQ contains 28 α-helices and 0 β-strands across 4 chains. 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	1173-1194	22

Chains B, C and D: 7 helices, 0 β-strands

Element	Residues	Length
α-helix	1087-1103	17
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	1173-1194	22

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
CREB-binding protein	A, B, C, D	protein	114	Homo sapiens	Q92793 (AlphaFold model)

Sequence of entity 1 (A, B, C, D), FASTA

>6AXQ_1 CREB-binding protein (chains A, B, C, D)
AAFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKL
DTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSL

Ligands and cofactors

ID	Name	Formula	Copies
C2Y	methyl 1H-indole-3-carboxylate	C10 H9 N O2	4

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

Primary 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. J Med Chem (2017) 60:10151-10171. DOI 10.1021/acs.jmedchem.7b01372 · PubMed

Other PDB entries of the same protein (UniProt Q92793 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5I86 1.05 Å, Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone…
5J0D 1.05 Å, Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine…
5I89 1.07 Å, Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone…
5KTW 1.09 Å, CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tet…
4NYX 1.1 Å, Crystal Structure of the Bromodomain of human CREBBP in complex with a…
5EP7 1.2 Å, Crystal structure of the bromodomain of human CREBBP in complex with UN32
4NR7 1.2 Å, Crystal structure of the bromodomain of human CREBBP in complex with an…
6YIL 1.22 Å, Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
5MMG 1.23 Å, Crystal structure of CREBBP bromodomain complexed with UT07C
5MPN 1.23 Å, Crystal structure of CREBBP bromodomain complexed with FA26
6YIM 1.23 Å, Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
7WX2 1.24 Å, CBP-BrD complexed with NEO2734

Browse structure collections

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