MolNFT v1 · #166857 · protein
Crystal structure of braf V600E oncogenic mutant in complex with tak- 580
6V34 · SERINE/THREONINE-protein kinase B-RAF: “Crystal structure of braf V600E oncogenic mutant in complex with tak- 580”. X-ray diffraction, 1 ligand (QOP), 6 pockets (best druggability 0.73). MolNFT v1 #166857 on GenesisL1: 3D structure…
- PDB
- 6V34
- Type
- protein
- Length
- 503 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase B-RAF
- UniProt
- A0A2R8Y8E0
- Ligands
- QOP
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase B-RAF | protein | 256 | 38% helix, 17% strand | A0A2R8Y8E0 |
| B | SERINE/THREONINE-protein kinase B-RAF | protein | 247 | 39% helix, 16% strand | A0A2R8Y8E0 |
Ligands and binding sites
- QOP · 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 · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 446 | 0.73 | 0.82 | 40 | QOP |
| 2 | 547 | 0.72 | 0.80 | 51 | QOP |
| 3 | 291 | 0.66 | 0.82 | 37 | empty |
| 4 | 167 | 0.52 | 0.79 | 25 | empty |
| 5 | 52 | 0.38 | 0.81 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1154 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6V34 · Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580 · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A2R8Y8E0
- Elsewhere: RCSB PDB 6V34 · PDBe 6V34 · UniProt A0A2R8Y8E0
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