MolNFT v1 · #144690 · protein
FGFR1 kinase complex with inhibitor SN37116
6C1C · Fibroblast growth factor receptor 1: “FGFR1 kinase complex with inhibitor SN37116”. X-ray diffraction, 2 ligands (YY6, SO4), 5 pockets (best druggability 0.65). MolNFT v1 #144690 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6C1C
- 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
- YY6, SO4
- Pockets
- 5 · 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 | 276 | 40% helix, 16% strand | P11362 |
| B | Fibroblast growth factor receptor 1 (EC 2.7.10.1) | protein | 267 | 41% helix, 16% strand | P11362 |
Ligands and binding sites
- YY6 · 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains B
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 | 292 | 0.65 | 0.81 | 33 | YY6 |
| 2 | 535 | 0.64 | 0.76 | 61 | empty |
| 3 | 267 | 0.62 | 0.80 | 30 | YY6 |
| 4 | 56 | 0.28 | 0.74 | 16 | empty |
| 5 | 60 | 0.26 | 0.72 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 285 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 6C1C · PDBe 6C1C · UniProt P11362
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