4XX9
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RF4
Summary for 4XX9
Entry DOI | 10.2210/pdb4xx9/pdb |
Descriptor | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid, ... (5 entities in total) |
Functional Keywords | protein kinase, allostery, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 36831.85 |
Authors | Rettenmaier, T.J.,Wells, J.A. (deposition date: 2015-01-29, release date: 2015-10-21, Last modification date: 2023-09-27) |
Primary citation | Rettenmaier, T.J.,Fan, H.,Karpiak, J.,Doak, A.,Sali, A.,Shoichet, B.K.,Wells, J.A. Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking. J.Med.Chem., 58:8285-8291, 2015 Cited by PubMed: 26443011DOI: 10.1021/acs.jmedchem.5b01216 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.4 Å) |
Structure validation
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