Research workbench
FGFR1 in complex with dovitinib
Analyse FGFR1 in complex with dovitinib in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5A46
- Type
- protein
- Length
- 586 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fibroblast growth factor receptor 1 (fms-related tyrosine kinase 2, pfeiffer syndrome)…
- UniProt
- D3DSX2
- Ligands
- 38O, SO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (fms-related tyrosine kinase 2, pfeiffer syndrome), isoform CRA_B | protein | 289 | 38% helix, 15% strand | D3DSX2 |
| B | Fibroblast growth factor receptor 1 (fms-related tyrosine kinase 2, pfeiffer syndrome), isoform CRA_B | protein | 297 | 38% helix, 15% strand | D3DSX2 |
Ligands and binding sites
- 38O · 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 759 | 0.73 | 0.79 | 81 | empty |
| 2 | 791 | 0.72 | 0.77 | 64 | EDO, 38O, SO4 |
| 3 | 649 | 0.69 | 0.77 | 57 | EDO, 38O, SO4 |
| 4 | 60 | 0.27 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 486 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5A46 · FGFR1 in complex with dovitinib · 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 D3DSX2
- Elsewhere: RCSB PDB 5A46 · PDBe 5A46 · UniProt D3DSX2
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