Download MendeleyCrystal Structure of the first bromodomain of BRD4 in complex with RT56
Picaud, S., Traquete, R., Bernardes, G.J.L., Newman, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)To be published.
6I7Y
Crystal Structure of the first bromodomain of BRD4 in complex with RT56
- PDB DOI: https://doi.org/10.2210/pdb6I7Y/pdb
- Classification: TRANSCRIPTION
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2018-11-19 Released: 2019-11-27
- Funding Organization(s): Wellcome Trust
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.00 Å
- R-Value Free: 0.131
- R-Value Work: 0.125
- R-Value Observed: 0.125
Starting Model: experimental
View more details
This is version 1.1 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 | 127 | 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 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| H7E Query on H7E | D [auth A] | [1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium C34 H39 Cl N7 O2 WDWNSWKCDGLBCQ-PMERELPUSA-O |  | ||
| EDO Query on EDO | B [auth A], C [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.00 Å
- R-Value Free: 0.131
- R-Value Work: 0.125
- R-Value Observed: 0.125
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 37.738 | α = 90 |
| b = 44.739 | β = 90 |
| c = 79.563 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-11-27 Deposition Author(s): Picaud, S., Traquete, R., Bernardes, G.J.L., Newman, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
| Funding Organization | Location | Grant Number |
|---|---|---|
| Wellcome Trust | United Kingdom | 095751/Z/11/Z |
Revision History (Full details and data files)
- Version 1.0: 2019-11-27
Type: Initial release - Version 1.1: 2024-01-24
Changes: Data collection, Database references, Refinement description
