MolNFT v1 · #111399 · protein
(R)-2-phenylpyrrolidine substitute imidazopyridazines: a new class of potent and selective pan-trk inhibitors
4YPS · High affinity nerve growth factor receptor: “(R)-2-phenylpyrrolidine substitute imidazopyridazines: a new class of potent and selective pan-trk inhibitors”. X-ray diffraction, 2 ligands (4F6, SO4), 1 pocket (best druggability 0.75).…
- PDB
- 4YPS
- Type
- protein
- Length
- 280 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- High affinity nerve growth factor receptor
- EC
- 2.7.10.1
- UniProt
- P04629
- Ligands
- 4F6, SO4
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | High affinity nerve growth factor receptor (EC 2.7.10.1) | protein | 280 | 43% helix, 15% strand | P04629 |
Ligands and binding sites
- 4F6 · 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 446 | 0.75 | 0.84 | 46 | 4F6 |
Compared structures
- 4YPS · (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and… · the same entry in another collection · chain A against A, TM-score 1.00
- P04629 · AlphaFold monomer V2.0 prediction for high affinity nerve growth factor receptor (P04629) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P04629
- Elsewhere: RCSB PDB 4YPS · PDBe 4YPS · UniProt P04629
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