5TO8: Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency

PDB ID: 5TO8Download
MMDB ID: 145891
PDB Deposition Date: 2016/10/17
Updated in MMDB: 2016/12
Experimental Method:
x-ray diffraction
Resolution: 1.9849  Å
Source Organism:
Similar Structures:
Biological Unit for 5TO8: monomeric; determined by author and by software (PISA)
Molecular Components in 5TO8
Label Count Molecule
Protein (1 molecule)
1
Protein-tyrosine Kinase 2-beta
(Gene symbol: PTK2B)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303