MolNFT v1 · #136378 · protein
FGFR1 kinase domain complex with SN37333 in reversible binding mode
5UR1 · Fibroblast growth factor receptor 1: “FGFR1 kinase domain complex with SN37333 in reversible binding mode”. X-ray diffraction, 1 ligand (YY9), 4 pockets (best druggability 0.65). MolNFT v1 #136378 on GenesisL1: 3D structure, binding…
- PDB
- 5UR1
- Type
- protein
- Length
- 543 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
- YY9
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 278 | 40% helix, 16% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 265 | 41% helix, 16% strand | P11362 |
Ligands and binding sites
- YY9 · 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one · ligand · 2 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 | 254 | 0.65 | 0.82 | 28 | YY9 |
| 2 | 540 | 0.64 | 0.76 | 56 | empty |
| 3 | 246 | 0.64 | 0.82 | 28 | YY9 |
| 4 | 50 | 0.26 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 352 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5UR1 · FGFR1 kinase domain complex with SN37333 in reversible binding mode · 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 0.96
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 5UR1 · PDBe 5UR1 · UniProt P11362
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