MolNFT v1 · #116323 · protein
Crystal structure of PTK6 kinase domain with inhibitor
5DA3 · Protein-tyrosine kinase 6: “Crystal structure of PTK6 kinase domain with inhibitor”. X-ray diffraction, 1 ligand (58V), 2 pockets (best druggability 0.68). MolNFT v1 #116323 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5DA3
- Type
- protein
- Length
- 264 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein-tyrosine kinase 6
- EC
- 2.7.10.2
- UniProt
- Q13882
- Ligands
- 58V
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein-tyrosine kinase 6 (EC 2.7.10.2) | protein | 264 | 44% helix, 18% strand | Q13882 |
Ligands and binding sites
- 58V · (2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 274 | 0.68 | 0.83 | 41 | GOL, 58V |
| 2 | 65 | 0.40 | 0.80 | 13 | GOL |
Modifications
Observed in the structure: 1 modified (carboxylation).
Compared structures
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 Q13882
- Elsewhere: RCSB PDB 5DA3 · PDBe 5DA3 · UniProt Q13882
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