MolNFT v1 · #144699 · protein
FGFR1 kinase domain complexed with fiin-1
6C1O · Fibroblast growth factor receptor 1: “FGFR1 kinase domain complexed with fiin-1”. X-ray diffraction, 2 ligands (MK9, SO4), 5 pockets (best druggability 0.64). MolNFT v1 #144699 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6C1O
- Type
- protein
- Length
- 542 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
- MK9, SO4
- Pockets
- 5 · best druggability 0.64
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 | 280 | 40% helix, 16% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 262 | 42% helix, 16% strand | P11362 |
Ligands and binding sites
- MK9 · N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 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 | 0.64 | 0.81 | 29 | MK9 |
| 2 | 275 | 0.63 | 0.80 | 32 | MK9 |
| 3 | 388 | 0.61 | 0.77 | 43 | empty |
| 4 | 50 | 0.29 | 0.76 | 15 | empty |
| 5 | 55 | 0.28 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 297 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
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 6C1O · PDBe 6C1O · UniProt P11362
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