3SC1: Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery

PDB ID: 3SC1Download
MMDB ID: 94623
PDB Deposition Date: 2011/6/6
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.7  Å
Source Organism:
Similar Structures:
Biological Unit for 3SC1: monomeric; determined by author
Molecular Components in 3SC1
Label Count Molecule
Protein (1 molecule)
1
3-phosphoinositide-dependent Protein Kinase 1
(Gene symbol: PDPK1)
Molecule annotation
Chemicals and Non-standard biopolymers (7 molecules)
1
1
6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one
2
4
SULFATE IONSULFATE ION
3
2
GLYCEROLGLYCEROL
* 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