MolNFT v1 · #109170 · protein
Structure of FGFR1 in complex with AZD4547 (N-{3-[2-(3,5- DIMETHOXYPHENYL)ETHYL]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5- dimethylpiperazin-1-YL]BENZAMIDE) at 1.65 ångström
4WUN · Fibroblast growth factor receptor 1: “Structure of FGFR1 in complex with AZD4547 (N-{3-[2-(3,5…”. X-ray diffraction, 1 ligand (66T), 5 pockets (best druggability 0.70). MolNFT v1 #109170 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4WUN
- Type
- protein
- Length
- 550 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
- 66T
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 282 | 39% helix, 15% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 268 | 41% helix, 15% strand | P11362 |
Ligands and binding sites
- 66T · N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.70 | 0.88 | 32 | 66T |
| 2 | 181 | 0.69 | 0.87 | 33 | 66T |
| 3 | 485 | 0.65 | 0.77 | 53 | empty |
| 4 | 82 | 0.33 | 0.75 | 20 | empty |
| 5 | 64 | 0.32 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 409 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4WUN · Structure of FGFR1 in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL… · 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 0.95
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 P11362
- Elsewhere: RCSB PDB 4WUN · PDBe 4WUN · UniProt P11362
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