Research workbench
B-RAF kinase V600E oncogenic mutant in complex with PLX4032
Analyse B-RAF kinase V600E oncogenic mutant in complex with PLX4032 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OG7
- Type
- protein
- Length
- 501 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AKAP9-braf fusion protein
- EC
- 2.7.11.1
- UniProt
- Q5IBP5
- Ligands
- 032
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AKAP9-braf fusion protein (EC 2.7.11.1) | protein | 247 | 40% helix, 18% strand | Q5IBP5 |
| B | AKAP9-braf fusion protein (EC 2.7.11.1) | protein | 254 | 42% helix, 18% strand | Q5IBP5 |
Ligands and binding sites
- 032 · N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide · ligand · chains A
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 | 258 | 0.68 | 0.84 | 30 | empty |
| 2 | 301 | 0.67 | 0.82 | 39 | 032 |
| 3 | 58 | 0.63 | 0.94 | 22 | empty |
| 4 | 139 | 0.55 | 0.82 | 17 | empty |
| 5 | 121 | 0.48 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1209 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3OG7 · B-Raf Kinase V600E oncogenic mutant in complex with PLX4032 · 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 Q5IBP5
- Elsewhere: RCSB PDB 3OG7 · PDBe 3OG7 · UniProt Q5IBP5
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