Download MendeleyCrystal Structure of BRD4-BD1 with BI894999
Kessler, D.To be published.
8PIQ
Crystal Structure of BRD4-BD1 with BI894999
- PDB DOI: https://doi.org/10.2210/pdb8PIQ/pdb
- Classification: TRANSCRIPTION
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2023-06-22 Released: 2023-07-26
- Funding Organization(s): Not funded
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.12 ?
- R-Value Free: 0.187
- R-Value Work: 0.167
- R-Value Observed: 0.168
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): 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 | |
| ZHO (Subject of Investigation/LOI) Query on ZHO | B [auth A] | ~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine C26 H29 N9 JLUUVUUYIXBDCG-UHFFFAOYSA-N |  | ||
| DMS Query on DMS | D [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | C [auth A], E [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.12 ?
- R-Value Free: 0.187
- R-Value Work: 0.167
- R-Value Observed: 0.168
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 40.676 | ¦Á = 90 |
| b = 43.314 | ¦Â = 90 |
| c = 81.66 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| BUSTER | refinement |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-07-26 Deposition Author(s): Kessler, D.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Not funded | -- |
Revision History (Full details and data files)
- Version 1.0: 2023-07-26
Type: Initial release - Version 1.1: 2024-06-19
Changes: Data collection
