MolNFT v1 · #118244 · protein
Fibroblast growth factor receptor 1 in complex with jnj-4275693
5EW8: “Fibroblast growth factor receptor 1 in complex with jnj-4275693”. X-ray diffraction, 2 ligands (5SF, SO4), 3 pockets (best druggability 0.76). MolNFT v1 #118244 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5EW8
- Type
- protein
- Length
- 581 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
- 5SF, SO4
- Pockets
- 3 · best druggability 0.76
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 | 291 | 39% helix, 16% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 290 | 38% helix, 17% strand | P11362 |
Ligands and binding sites
- 5SF · ~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 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 | 922 | 0.76 | 0.79 | 92 | empty |
| 2 | 829 | 0.72 | 0.77 | 67 | SO4, 5SF |
| 3 | 725 | 0.72 | 0.78 | 65 | SO4, 5SF |
Interfaces
1 interface between chains.
- A–B · 486 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5EW8 · Fibroblast growth factor receptor 1 in complex with jnj-4275693 · 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 0.93
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 5EW8 · PDBe 5EW8 · UniProt P11362
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