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: 26443011 DOI: 10.1021/acs.jmedchem.5b01216 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation