MolNFT v1 · #159950 · protein
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to compound 22.
6P68 · Fibroblast growth factor receptor 1: “Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to compound 22.”. X-ray diffraction, 2 ligands (O1Y, SO4), 3 pockets (best druggability 0.84). MolNFT v1 #159950 on GenesisL1…
- PDB
- 6P68
- Type
- protein
- Length
- 859 residues
- Chains
- 3
- 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
- O1Y, SO4
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 287 | 38% helix, 15% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 286 | 38% helix, 16% strand | P11362 |
| C | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 286 | 37% helix, 15% strand | P11362 |
Ligands and binding sites
- O1Y · N-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl) carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1H-pyrazol-4-yl}prop-2-enamide · ligand · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 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 | 1188 | 0.84 | 0.85 | 132 | O1Y |
| 2 | 666 | 0.71 | 0.78 | 58 | O1Y |
| 3 | 253 | 0.67 | 0.83 | 34 | O1Y |
Interfaces
2 interfaces between chains.
- A–B · 1213 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 463 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 covalent (covalent ligand).
Compared structures
- 6P68 · Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to compound 22. · 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 0.91
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 6P68 · PDBe 6P68 · UniProt P11362
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.