MolNFT v1 · #167054 · protein
Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor
6V9C · Fibroblast growth factor receptor 4: “Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor”. X-ray diffraction, 2 ligands (QS7, SO4), 4 pockets (best druggability 0.66). MolNFT v1 #167054 on GenesisL1: 3D…
- PDB
- 6V9C
- Type
- protein
- Length
- 279 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fibroblast growth factor receptor 4
- EC
- 2.7.10.1
- UniProt
- P22455
- Ligands
- QS7, SO4
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 4 (EC 2.7.10.1) | protein | 279 | 41% helix, 15% strand | P22455 |
Ligands and binding sites
- QS7 · N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 444 | 0.66 | 0.78 | 43 | QS7, SO4 |
| 2 | 110 | 0.36 | 0.74 | 20 | empty |
| 3 | 54 | 0.33 | 0.78 | 14 | empty |
| 4 | 72 | 0.31 | 0.74 | 16 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6V9C · Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P22455 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 4 (P22455) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P22455
- Elsewhere: RCSB PDB 6V9C · PDBe 6V9C · UniProt P22455
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