MolNFT v1 · #91664 · protein
B-RAF kinase V600E oncogenic mutant in complex with PLX3203
4FK3 · SERINE/THREONINE-protein kinase B-RAF: “B-RAF kinase V600E oncogenic mutant in complex with PLX3203”. X-ray diffraction, 1 ligand (325), 6 pockets (best druggability 0.69). MolNFT v1 #91664 on GenesisL1: 3D structure, binding sites…
- PDB
- 4FK3
- Type
- protein
- Length
- 508 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
- 325
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1) | protein | 251 | 41% helix, 16% strand | P15056 |
| B | SERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1) | protein | 257 | 39% helix, 16% strand | P15056 |
Ligands and binding sites
- 325 · N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.69 | 0.84 | 32 | empty |
| 2 | 368 | 0.68 | 0.81 | 46 | 325 |
| 3 | 58 | 0.63 | 0.93 | 18 | empty |
| 4 | 110 | 0.53 | 0.83 | 18 | empty |
| 5 | 103 | 0.50 | 0.82 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1260 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4FK3 · B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 · 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 4FK3 · PDBe 4FK3 · UniProt P15056
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.