Download MendeleyCrystal structure of BRAF V600E oncogenic mutant in complex with TAK-580
Gonzalez Del-Pino, G., Li, K., Eck, M.J.To be published.
6V34
Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580
- PDB DOI: https://doi.org/10.2210/pdb6V34/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2019-11-25 Released: 2020-12-02
- Funding Organization(s): National Institutes of Health/National Cancer Institute (NIH/NCI)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.15 Å
- R-Value Free: 0.286
- R-Value Work: 0.255
- R-Value Observed: 0.257
wwPDB Validation 3D Report Full Report
Currently 6V34 does not have a validation slider image.
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 |
| Serine/threonine-protein kinase B-raf | 283 | Homo sapiens | Mutation(s): 15 Gene Names: BRAF |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P15056 (Homo sapiens) Explore P15056 Go to UniProtKB: P15056 | |||||
PHAROS: P15056 GTEx: ENSG00000157764 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P15056 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| QOP (Subject of Investigation/LOI) Query on QOP | C [auth A], D [auth B] | 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide C17 H12 Cl2 F3 N7 O2 S VWMJHAFYPMOMGF-ZCFIWIBFSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.15 Å
- R-Value Free: 0.286
- R-Value Work: 0.255
- R-Value Observed: 0.257
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 48.802 | α = 90 |
| b = 85.244 | β = 90 |
| c = 122.905 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Structure Validation
Currently 6V34 does not have a validation slider image.
Entry History & Funding Information
Deposition Data
- Released Date: 2020-12-02 Deposition Author(s): Gonzalez Del-Pino, G., Li, K., Eck, M.J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Cancer Institute (NIH/NCI) | United States | P50 CA165962 |
| National Institutes of Health/National Cancer Institute (NIH/NCI) | United States | R35 CA242461 |
Revision History (Full details and data files)
- Version 1.0: 2020-12-02
Type: Initial release - Version 1.1: 2023-10-11
Changes: Data collection, Database references, Refinement description, Structure summary
