7ZA9: BRD4

BRD4 in complex with FragLite7. Determined by X-ray diffraction at 1.05 Å resolution. Released 23 Nov 2022.

Method: X-ray diffraction
Resolution: 1.05 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,259
Mol. weight: 15.98 kDa
Ligands: HHQ
Released: 23 Nov 2022

Explore 7ZA9 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7ZA9 contains 9 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 AAA: 9 helices, 0 β-strands

Element	Residues	Length
α-helix	45-49	5
α-helix	61-65	5
α-helix	66-71	6
α-helix	72-75	4
α-helix	81-83	3
α-helix	97-100	4
α-helix	107-115	9
α-helix	122-139	18
α-helix	145-162	18

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Isoform C of Bromodomain-containing protein 4	AAA	protein	129	Homo sapiens	O60885 (AlphaFold model)

Sequence of entity 1 (AAA), FASTA

>7ZA9_1 Isoform C of Bromodomain-containing protein 4 (chains AAA)
GSHMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYK
IIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQ
KINELPTEE

Ligands and cofactors

ID	Name	Formula	Copies
HHQ	4-iodanyl-3~{H}-pyridin-2-one	C5 H4 I N O	1

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

Primary citation

Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. Davison, G., Martin, M.P., Turberville, S. et al. J Med Chem (2022) 65:15416-15432. DOI 10.1021/acs.jmedchem.2c01357 · PubMed

Other PDB entries of the same protein (UniProt O60885 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4QB3 0.94 Å, Crystal structure of the first bromodomain of human BRD4 in complex with Olinone
6FO5 0.95 Å, First domain of human bromodomain BRD4 in complex with inhibitor #17
7Z9W 0.99 Å, BRD4 in complex with FragLite1
4ZC9 0.99 Å, Crystal Structure of the BRD4a/DB-2-190 complex
9P34 0.99 Å, Crystal structure of the Bromo domain 1 in human Bromodomain Containing Protein 4 with a…
6I7Y 1.0 Å, Crystal Structure of the first bromodomain of BRD4 in complex with RT56
7ZAJ 1.0 Å, BRD4 in complex with FragLite16
8YMG 1.01 Å, BRD4-BD1 in complex with 7-[4-chloro-1-(tetrahydropyran-4-ylmethyl)imidazol-2-yl]-5-methy…
8YMI 1.01 Å, BRD4-BD1 in complex with 2-{[(3S)-1-benzylpyrrolidin-3-yl]methyl}-5-methyl-7-(1-methylpyr…
9P33 1.01 Å, Crystal structure of the Bromo domain 1 in human Bromodomain Containing Protein 4 with a…
8YMF 1.01 Å, BRD4-BD1 in complex with 7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonyl-4…
7Z9Y 1.04 Å, BRD4 in complex with FragLite2

Browse structure collections

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