MolNFT v1 · #110386 · protein
B-RAF kinase V600E oncogenic mutant in complex with dabrafenib
4XV2 · SERINE/THREONINE-protein kinase B-RAF: “B-RAF kinase V600E oncogenic mutant in complex with dabrafenib”. X-ray diffraction, 1 ligand (P06), 5 pockets (best druggability 0.70). MolNFT v1 #110386 on GenesisL1: 3D structure, binding…
- PDB
- 4XV2
- Type
- protein
- Length
- 496 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase B-RAF
- EC
- 2.7.11.1
- UniProt
- P15056
- Ligands
- P06
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1) | protein | 247 | 40% helix, 17% strand | P15056 |
| B | SERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1) | protein | 249 | 43% helix, 17% strand | P15056 |
Ligands and binding sites
- P06 · Dabrafenib · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 268 | 0.70 | 0.85 | 34 | P06 |
| 2 | 288 | 0.70 | 0.84 | 33 | P06 |
| 3 | 85 | 0.57 | 0.87 | 20 | empty |
| 4 | 67 | 0.53 | 0.87 | 16 | empty |
| 5 | 79 | 0.42 | 0.79 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1321 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4XV2 · B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib · the same entry in another collection · chain A against A, TM-score 1.00
- P15056 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase B-RAF (P15056) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P15056
- Elsewhere: RCSB PDB 4XV2 · PDBe 4XV2 · UniProt P15056
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.