MolNFT v1 · #108218 · protein
FGFR1 in complex with AZD4547.
4V05 · Fibroblast growth factor receptor 1 (fms-related tyrosine…: “FGFR1 in complex with AZD4547.”. X-ray diffraction, 2 ligands (66T, SO4), 5 pockets (best druggability 0.74). MolNFT v1 #108218 on GenesisL1: 3D structure, binding sites…
- PDB
- 4V05
- Type
- protein
- Length
- 573 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
- 66T, SO4
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 14% 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 | 287 | 39% helix, 14% strand | D3DSX2 |
| B | Fibroblast growth factor receptor 1 (fms-related tyrosine kinase 2, pfeiffer syndrome), isoform CRA_B | protein | 286 | 40% helix, 14% strand | D3DSX2 |
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
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 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 | 846 | 0.74 | 0.78 | 83 | empty |
| 2 | 494 | 0.71 | 0.81 | 57 | 66T, SO4 |
| 3 | 472 | 0.70 | 0.80 | 61 | EDO, 66T, SO4 |
| 4 | 86 | 0.35 | 0.75 | 18 | empty |
| 5 | 61 | 0.30 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 450 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4V05 · FGFR1 in complex with AZD4547. · 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 4V05 · PDBe 4V05 · UniProt D3DSX2
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