MolNFT v1 · #159951 · protein
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to compound 11.
6P69 · Fibroblast growth factor receptor 1: “Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to compound 11.”. X-ray diffraction, 2 ligands (O21, SO4), 5 pockets (best druggability 0.74). MolNFT v1 #159951 on GenesisL1…
- PDB
- 6P69
- Type
- protein
- Length
- 574 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
- O21, SO4
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 288 | 39% helix, 16% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 286 | 38% helix, 16% strand | P11362 |
Ligands and binding sites
- O21 · N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl) carbamoyl][3-(4-methylpiperazin-1-yl) propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 765 | 0.74 | 0.79 | 86 | empty |
| 2 | 835 | 0.74 | 0.78 | 66 | SO4, O21 |
| 3 | 715 | 0.71 | 0.78 | 53 | SO4, O21 |
| 4 | 62 | 0.53 | 0.87 | 14 | empty |
| 5 | 114 | 0.42 | 0.77 | 20 | SO4 |
Interfaces
1 interface between chains.
- A–B · 531 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6P69 · Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to compound 11. · 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 B against A, TM-score 0.92
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 6P69 · PDBe 6P69 · UniProt P11362
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