5ACK

Human PDK1 Kinase Domain in Complex with Allosteric Compound 7 Bound to the PIF-Pocket

Summary for 5ACK

Entry DOI	10.2210/pdb5ack/pdb
Descriptor	3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, 1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID, ... (7 entities in total)
Functional Keywords	transferase, kinase, allostery, virtual screening, pharmacophore, multicomponent reaction
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Cytoplasm: O15530
Total number of polymer chains	1
Total formula weight	36591.36
Authors	Schulze, J.O.,Kroon, E.,Doemling, A.,Biondi, R.M. (deposition date: 2015-08-17, release date: 2015-10-21, Last modification date: 2024-01-10)
Primary citation	Kroon, E.,Schulze, J.O.,Suss, E.,Camacho, C.J.,Biondi, R.M.,Domling, A. Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods. Angew.Chem.Int.Ed.Engl., 54:13933-, 2015 Cited by PubMed: 26385475 DOI: 10.1002/ANIE.201506310 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.24 Å)

Structure validation