MolNFT v1 · #19188 · protein
Crystal structure of hck in complex with a src family-selective tyrosine kinase inhibitor
1QCF · Haematopoetic cell kinase (hck): “Crystal structure of hck in complex with a src family-selective tyrosine kinase inhibitor”. X-ray diffraction, 1 ligand (PP1), 3 pockets (best druggability 0.74). MolNFT v1 #19188 on GenesisL1: 3D…
- PDB
- 1QCF
- Type
- protein
- Length
- 450 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Haematopoetic cell kinase (hck)
- UniProt
- P08631
- Ligands
- PP1
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Haematopoetic cell kinase (hck) | protein | 450 | 30% helix, 23% strand | P08631 |
Ligands and binding sites
- PP1 · 1-ter-butyl-3-P-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 441 | 0.74 | 0.83 | 53 | PP1 |
| 2 | 1097 | 0.72 | 0.76 | 94 | empty |
| 3 | 53 | 0.24 | 0.72 | 15 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 1QCF · Crystal structure of hck in complex with a src family-selective tyrosine kinase inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P08631 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase hck (P08631) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P08631
- Elsewhere: RCSB PDB 1QCF · PDBe 1QCF · UniProt P08631
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