MolNFT v1 · #145815 · protein
Structure of the PTK6 kinase domain bound to a type II inhibitor 2- {[(3R,4S)-3-fluoro-1-{[4-(TRIFLUOROMETHOXY)PHENYL]ACETYL}PIPERIDIN-4- YL]OXY}-5-(1-methyl-1H-imidazol-4-YL)PYRIDINE-3-carboxamide
6CZ4 · Protein-tyrosine kinase 6: “Structure of the PTK6 kinase domain bound to a type II inhibitor 2…”. X-ray diffraction, 1 ligand (FKY), 4 pockets (best druggability 0.80). MolNFT v1 #145815 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6CZ4
- Type
- protein
- Length
- 257 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
- FKY
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein-tyrosine kinase 6 (EC 2.7.10.2) | protein | 257 | 42% helix, 19% strand | Q13882 |
Ligands and binding sites
- FKY · 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy) phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 311 | 0.80 | 0.90 | 41 | FKY |
| 2 | 79 | 0.47 | 0.82 | 17 | empty |
| 3 | 133 | 0.44 | 0.76 | 19 | empty |
| 4 | 144 | 0.43 | 0.75 | 23 | empty |
Compared structures
- 6CZ4 · Structure of the PTK6 kinase domain bound to a type II inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- Q13882 · AlphaFold monomer V2.0 prediction for protein-tyrosine kinase 6 (Q13882) · a predicted model of the same protein · chain A against A, TM-score 0.90
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 6CZ4 · PDBe 6CZ4 · UniProt Q13882
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