MolNFT v1 · #120997 · protein
Braf kinase domain B3AC loop deletion mutant in complex with sorafenib
5HI2 · SERINE/THREONINE-protein kinase B-RAF: “Braf kinase domain B3AC loop deletion mutant in complex with sorafenib”. X-ray diffraction, 1 ligand (BAX), 1 pocket (best druggability 0.68). MolNFT v1 #120997 on GenesisL1: 3D structure…
- PDB
- 5HI2
- Type
- protein
- Length
- 247 residues
- Chains
- 1
- 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
- BAX
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1) | protein | 247 | 42% helix, 18% strand | P15056 |
Ligands and binding sites
- BAX · 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-N-methylpyridine-2-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 383 | 0.68 | 0.81 | 42 | BAX |
Compared structures
- 5HI2 · BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib · 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 0.96
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 5HI2 · PDBe 5HI2 · UniProt P15056
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