MolNFT v1 · #128643 · protein
Fibroblast growth factor receptor 4 kinase domain (449-753) in complex with irreversible ligand CGA159527
5NWZ: “Fibroblast growth factor receptor 4 kinase domain (449-753) in complex with irreversible ligand CGA159527”. X-ray diffraction, 1 ligand (9CT), 7 pockets (best druggability 0.69). MolNFT v1 #128643 on GenesisL1: 3D structure, binding…
- PDB
- 5NWZ
- Type
- protein
- Length
- 539 residues
- Chains
- 2
- 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
- 9CT
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fibroblast growth factor receptor 4 (EC 2.7.10.1) | protein | 271 | 40% helix, 14% strand | P22455 |
| B | Fibroblast growth factor receptor 4 (EC 2.7.10.1) | protein | 268 | 41% helix, 14% strand | P22455 |
Ligands and binding sites
- 9CT · ~{N}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{H}-pyrazol-5-yl]-2-(propanoylamino)benzamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.69 | 0.88 | 30 | 9CT |
| 2 | 180 | 0.68 | 0.87 | 32 | 9CT |
| 3 | 131 | 0.66 | 0.88 | 26 | empty |
| 4 | 135 | 0.46 | 0.77 | 22 | empty |
| 5 | 91 | 0.33 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 615 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 5NWZ · Fibroblast growth factor receptor 4 kinase domain (449-753) in complex with irreversible… · 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 B against A, TM-score 0.96
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 5NWZ · PDBe 5NWZ · UniProt P22455
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