Research workbench
Crystal structure of human B-RAF kinase domain in complex with a non- oxime furopyridine inhibitor
Analyse Crystal structure of human B-RAF kinase domain in complex with a non- oxime… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PRF
- Type
- protein
- Length
- 524 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
- FP3
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | SERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1) | protein | 262 | 41% helix, 19% strand | P15056 |
Ligands and binding sites
- FP3 · 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 247 | 0.67 | 0.84 | 35 | FP3 |
| 2 | 203 | 0.63 | 0.83 | 27 | FP3 |
| 3 | 51 | 0.61 | 0.93 | 24 | empty |
| 4 | 194 | 0.55 | 0.80 | 28 | empty |
| 5 | 144 | 0.51 | 0.80 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1258 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3PRF · Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine… · 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 0.95
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 3PRF · PDBe 3PRF · UniProt P15056
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.