MolNFT v1 · #108093 · protein
Fibroblast growth factor receptor 1 kinase in complex with jk-P3
4UWC: “Fibroblast growth factor receptor 1 kinase in complex with jk-P3”. X-ray diffraction, 2 ligands (4Y0, SO4), 4 pockets (best druggability 0.80). MolNFT v1 #108093 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UWC
- Type
- protein
- Length
- 601 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
- 4Y0, SO4
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 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 | 300 | 37% helix, 14% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 301 | 38% helix, 16% strand | P11362 |
Ligands and binding sites
- 4Y0 · 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 12 copies · chains A, B
- PPI · Propanoic acid · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.80 | 0.82 | 111 | EDO, PPI, SO4 |
| 2 | 750 | 0.72 | 0.77 | 61 | EDO, 4Y0, SO4 |
| 3 | 525 | 0.71 | 0.80 | 57 | EDO, 4Y0, SO4 |
| 4 | 84 | 0.37 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 868 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4UWC · Fibroblast growth factor receptor 1 kinase in complex with JK-P3 · 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 0.91
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 4UWC · PDBe 4UWC · UniProt P11362
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