MolNFT v1 · #158487 · protein
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-DIMETHOXYBENZYL)OXY) pyrimidin-2-YL)AMINO)-3-METHYLPHENYL)ACRYLAMIDE
6NVH · Fibroblast growth factor receptor 4: “FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-DIMETHOXYBENZYL)OXY)…”. X-ray diffraction, 2 ligands (XL6, SO4), 3 pockets (best druggability 0.61). MolNFT v1 #158487 on GenesisL1: 3D structure…
- PDB
- 6NVH
- Type
- protein
- Length
- 271 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
- XL6, SO4
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 4 (EC 2.7.10.1) | protein | 271 | 41% helix, 16% strand | P22455 |
Ligands and binding sites
- XL6 · N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl) methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide · 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
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.61 | 0.81 | 25 | XL6 |
| 2 | 102 | 0.35 | 0.73 | 18 | empty |
| 3 | 60 | 0.29 | 0.74 | 13 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6NVH · FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3… · 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 0.94
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 6NVH · PDBe 6NVH · UniProt P22455
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