MolNFT v1 · #104950 · protein
Crystal structure of FGF receptor (fgfr) 4 kinase harboring the V550L gate-keeper mutation in complex with fiin-2, an irreversible tyrosine kinase inhibitor capable of overcoming fgfr kinase gate-keeper mutations
4QQ5 · Fibroblast growth factor receptor 4: “Crystal structure of FGF receptor (fgfr) 4 kinase harboring the V550L gate-keeper mutation in complex with…”. X-ray diffraction, 1 ligand (37O), 4 pockets (best druggability 0.75). MolNFT v1…
- PDB
- 4QQ5
- Type
- protein
- Length
- 275 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fibroblast growth factor receptor 4
- EC
- 2.7.10.1
- UniProt
- P22455
- Ligands
- 37O
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 4 (EC 2.7.10.1) | protein | 275 | 42% helix, 15% strand | P22455 |
Ligands and binding sites
- 37O · N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 365 | 0.75 | 0.85 | 43 | 37O |
| 2 | 75 | 0.34 | 0.75 | 20 | empty |
| 3 | 53 | 0.32 | 0.77 | 14 | empty |
| 4 | 66 | 0.27 | 0.72 | 16 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4QQ5 · Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper… · the same entry in another collection · chain A against A, TM-score 1.00
- P22455 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 4 (P22455) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P22455
- Elsewhere: RCSB PDB 4QQ5 · PDBe 4QQ5 · UniProt P22455
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