Download MendeleyDiscovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Humbeck, L., Pretzel, J., Spitzer, S., Koch, O.(2019) ChemRxiv
6G0G
BRD4 (BD1) in complex with APSC-derived ligands (e.g. sulfasalazine)
- PDB DOI: https://doi.org/10.2210/pdb6G0G/pdb
- Classification: TRANSCRIPTION
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2018-03-18 Released: 2020-01-08
- Funding Organization(s): German Research Foundation, German Federal Ministry for Education and Research (BMBF)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.48 Å
- R-Value Free: 0.220
- R-Value Work: 0.193
- R-Value Observed: 0.194
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
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): 1 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 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SAS (Subject of Investigation/LOI) Query on SAS | E [auth A] | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID C18 H14 N4 O5 S NCEXYHBECQHGNR-QZQOTICOSA-N |  | ||
| DMS Query on DMS | D [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | B [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| FMT Query on FMT | C [auth A] | FORMIC ACID C H2 O2 BDAGIHXWWSANSR-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.48 Å
- R-Value Free: 0.220
- R-Value Work: 0.193
- R-Value Observed: 0.194
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 39.322 | α = 90 |
| b = 108.176 | β = 90 |
| c = 30.227 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| PHASER | phasing |
| PDB_EXTRACT | data extraction |
| XSCALE | data scaling |
| Coot | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2020-01-08 Deposition Author(s): Humbeck, L., Pretzel, J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| German Research Foundation | Germany | SPP 1736 |
| German Federal Ministry for Education and Research (BMBF) | Germany | BMBF Grant 1316053 |
Revision History (Full details and data files)
- Version 1.0: 2020-01-08
Type: Initial release - Version 1.1: 2024-01-17
Changes: Data collection, Database references, Refinement description
