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: 26385475DOI: 10.1002/ANIE.201506310 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.24 Å) |
Structure validation
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