Download MendeleyBrd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon
Xiong, B., Cao, D.Y., Chen, W.Y., Chen, T.T., Xu, Y.C., Shen, J.K.To be published.
4DON
Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon
- PDB DOI: https://doi.org/10.2210/pdb4DON/pdb
- Classification: SIGNALING PROTEIN
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2012-02-09 Released: 2013-02-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.52 Å
- R-Value Free: 0.218
- R-Value Work: 0.201
- R-Value Observed: 0.202
This is version 1.2 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Bromodomain-containing protein 4 | 145 | Homo sapiens | Mutation(s): 0 Gene Names: BRD4, HUNK1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for O60885 (Homo sapiens) Explore O60885 Go to UniProtKB: O60885 | |||||
PHAROS: O60885 GTEx: ENSG00000141867 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O60885 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 3PF Query on 3PF | B [auth A] | 3-methyl-3,4-dihydroquinazolin-2(1H)-one C9 H10 N2 O GINUUQLRYXHAPB-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.52 Å
- R-Value Free: 0.218
- R-Value Work: 0.201
- R-Value Observed: 0.202
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 32.84 | α = 90 |
| b = 47 | β = 90 |
| c = 78.73 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XSCALE | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| ADSC | data collection |
| XDS | data reduction |
Entry History
Deposition Data
- Released Date: 2013-02-13 Deposition Author(s): Xiong, B., Cao, D.Y., Chen, W.Y., Chen, T.T., Xu, Y.C., Shen, J.K.
Revision History (Full details and data files)
- Version 1.0: 2013-02-13
Type: Initial release - Version 1.1: 2019-12-25
Changes: Data collection, Database references - Version 1.2: 2024-03-20
Changes: Data collection, Database references, Derived calculations
