MolNFT v1 · #141235 · protein
Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor
5Z0S · Fibroblast growth factor receptor 1: “Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor”. X-ray diffraction, 1 ligand (960), 6 pockets (best druggability 0.76). MolNFT v1 #141235 on GenesisL1: 3D structure…
- PDB
- 5Z0S
- Type
- protein
- Length
- 566 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
- 960
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 285 | 40% helix, 14% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 281 | 40% helix, 15% strand | P11362 |
Ligands and binding sites
- 960 · 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 737 | 0.76 | 0.81 | 65 | 960 |
| 2 | 229 | 0.73 | 0.88 | 26 | 960 |
| 3 | 434 | 0.65 | 0.78 | 40 | empty |
| 4 | 237 | 0.56 | 0.78 | 33 | empty |
| 5 | 72 | 0.39 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 170 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5Z0S · Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor · 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 5Z0S · PDBe 5Z0S · UniProt P11362
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