Research workbench
Selectivity switch between fak and PYK2: macrocyclization of fak inhibitors improves PYK2 potency
Analyse Selectivity switch between fak and PYK2: macrocyclization of fak inhibitors… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TOB
- Type
- protein
- Length
- 245 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein-tyrosine kinase 2-beta
- EC
- 2.7.10.2
- UniProt
- Q14289
- Ligands
- YAM
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein-tyrosine kinase 2-beta (EC 2.7.10.2) | protein | 245 | 45% helix, 18% strand | Q14289 |
Ligands and binding sites
- YAM · N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl) amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino) methyl]pyridin-2-yl}methanesulfonamide · ligand · 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 | 314 | 0.63 | 0.79 | 40 | YAM |
Compared structures
- 5TOB · Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2… · the same entry in another collection · chain A against A, TM-score 1.00
- Q14289 · AlphaFold monomer V2.0 prediction for protein-tyrosine kinase 2-beta (Q14289) · 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 Q14289
- Elsewhere: RCSB PDB 5TOB · PDBe 5TOB · UniProt Q14289
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