MolNFT v1 · #136345 · protein
FGFR1 kinase domain complex with fragment 2,2-dimethyl-2,3- dihydrobenzofuran-7-carboxamide
5UQ0 · Fibroblast growth factor receptor 1: “FGFR1 kinase domain complex with fragment 2,2-dimethyl-2,3- dihydrobenzofuran-7-carboxamide”. X-ray diffraction, 1 ligand (WP1), 3 pockets (best druggability 0.62). MolNFT v1 #136345 on…
- PDB
- 5UQ0
- Type
- protein
- Length
- 522 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fibroblast growth factor receptor 1
- EC
- 2.7.10.1
- UniProt
- P11362
- Ligands
- WP1
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 266 | 41% helix, 16% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 256 | 41% helix, 16% strand | P11362 |
Ligands and binding sites
- WP1 · 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 322 | 0.62 | 0.79 | 34 | WP1 |
| 2 | 221 | 0.60 | 0.81 | 28 | WP1 |
| 3 | 286 | 0.54 | 0.75 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 188 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5UQ0 · FGFR1 kinase domain complex with fragment 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamide · the same entry in another collection · chain A against A, TM-score 1.00
- P11362 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 1 (P11362) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P11362
- Elsewhere: RCSB PDB 5UQ0 · PDBe 5UQ0 · UniProt P11362
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