MolNFT v1 · #113070 · protein
FGFR1 ligand complex
5A4C · Fibroblast growth factor receptor 1 (fms-related tyrosine…: “FGFR1 ligand complex”. X-ray diffraction, 2 ligands (XOJ, SO4), 4 pockets (best druggability 0.77). MolNFT v1 #113070 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5A4C
- Type
- protein
- Length
- 580 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
- P11362
- Ligands
- XOJ, SO4
- Pockets
- 4 · best druggability 0.77
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 (fms-related tyrosine kinase 2, pfeiffer syndrome), isoform CRA_B | protein | 294 | 38% helix, 15% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (fms-related tyrosine kinase 2, pfeiffer syndrome), isoform CRA_B | protein | 286 | 39% helix, 16% strand | P11362 |
Ligands and binding sites
- XOJ · 1-tert-butyl-3-[2-[3-(diethylamino) propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-D] pyrimidin-7-yl]urea · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 10 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 | 1110 | 0.77 | 0.79 | 89 | SO4, EDO |
| 2 | 663 | 0.70 | 0.78 | 65 | SO4, EDO, XOJ |
| 3 | 575 | 0.68 | 0.78 | 60 | SO4, XOJ |
| 4 | 90 | 0.36 | 0.76 | 23 | EDO |
Interfaces
1 interface between chains.
- A–B · 650 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 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 0.92
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 5A4C · PDBe 5A4C · UniProt P11362
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