4BI2: Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor

PDB ID: 4BI2Download
MMDB ID: 110241
PDB Deposition Date: 2013/4/9
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 3.11  Å
Source Organism:
Similar Structures:
Biological Unit for 4BI2: monomeric; determined by author and by software (PISA)
Molecular Components in 4BI2
Label Count Molecule
Protein (1 molecule)
1
Dual Specificity Protein Kinase TTK
(Gene symbol: TTK)
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
2
1,2-ETHANEDIOL1,2-ETHANEDIOL
2
1
2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
3
1
thieno[2,3-c][2,7]naphthyridinethieno[2,3-c][2,7]naphthyridine
* 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