4AU8

Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule

Summary for 4AU8

Entry DOI	10.2210/pdb4au8/pdb
Related	1H4L 1LFR 1UNG 1UNH 1UNL
Descriptor	CYCLIN-DEPENDENT KINASE 5, SULFATE ION, 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide, ... (5 entities in total)
Functional Keywords	transferase, cdk2, alzheimer disease
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Isoform 1: Cytoplasm. Isoform 2: Nucleus: Q00535
Total number of polymer chains	2
Total formula weight	68483.68
Authors	Malmstrom, J.,Viklund, J.,Slivo, C.,Costa, A.,Maudet, M.,Sandelin, C.,Hiller, G.,Olsson, L.L.,Aagaard, A.,Geschwindner, S.,Xue, Y.,Vasange, M. (deposition date: 2012-05-14, release date: 2013-03-27)
Primary citation	Malmstrom, J.,Viklund, J.,Slivo, C.,Costa, A.,Maudet, M.,Sandelin, C.,Hiller, G.,Olsson, L.L.,Aagaard, A.,Geschwindner, S.,Xue, Y.,Vasange, M. Synthesis and Structure-Activity Relationship of 4-(1,3-Benzothiazol-2-Yl)-Thiophene-2-Sulfonamides as Cyclin-Dependent Kinase 5 (Cdk5)/P25 Inhibitors. Bioorg.Med.Chem.Lett., 22:5919-, 2012 Cited by PubMed: 22889803 DOI: 10.1016/J.BMCL.2012.07.068 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation