Download MendeleyCRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 2
Krojer, T., Martinez-Cartro, M., Picaud, S., Filippakopoulos, P., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Barril, X., von Delft, F.To be published.
9QNV | pdb_00009qnv
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 2
- PDB DOI: https://doi.org/10.2210/pdb9QNV/pdb
- Classification: CELL CYCLE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2025-03-25 Released: 2025-05-14
- Funding Organization(s): Not funded
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.23 Å
- R-Value Free: 0.148 (Depositor), 0.155 (DCC)
- R-Value Work: 0.117 (Depositor), 0.132 (DCC)
Starting Model: experimental
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This is version 1.0 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 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| A1I76 (Subject of Investigation/LOI) Query on A1I76 | D [auth A] | 3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole C11 H9 N3 S JQMRMGDOZXEHEL-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | B [auth A], C [auth A], E [auth A], F [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| K Query on K | G [auth A] | POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.23 Å
- R-Value Free: 0.148 (Depositor), 0.155 (DCC)
- R-Value Work: 0.117 (Depositor), 0.132 (DCC)
Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 37.263 | α = 90 |
| b = 43.862 | β = 90 |
| c = 77.89 | γ = 90 |
| Software Name | Purpose |
|---|---|
| autoPROC | data processing |
| XDS | data reduction |
| Aimless | data scaling |
| STARANISO | data scaling |
| REFMAC | refinement |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-05-14 Deposition Author(s): Krojer, T., Martinez-Cartro, M., Picaud, S., Filippakopoulos, P., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Barril, X., von Delft, F., Structural Genomics Consortium (SGC)
| Funding Organization | Location | Grant Number |
|---|---|---|
| Not funded | -- |
Revision History (Full details and data files)
- Version 1.0: 2025-05-14
Type: Initial release
