6G33

Crystal structure of CLK1 in complex with 5-iodotubercidin

Summary for 6G33

• Entry DOI: 10.2210/pdb6g33/pdb
• Descriptor: Dual specificity protein kinase CLK1, (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, IODIDE ION, ... (6 entities in total)
• Functional Keywords: kinase, inhibitors, slow off-rate, kinetics, structural genomics, structural genomics consortium, sgc, transferase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 3
• Total formula weight: 120556.63

Authors

Heroven, C.,Chaikuad, A.,Bountra, C.,Arrowsmith, C.H.,Edwards, A.M.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2018-03-24, release date: 2018-04-18, Last modification date: 2024-01-17)

• Primary citation: Heroven, C.,Georgi, V.,Ganotra, G.K.,Brennan, P.,Wolfreys, F.,Wade, R.C.,Fernandez-Montalvan, A.E.,Chaikuad, A.,Knapp, S.; Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.; Angew. Chem. Int. Ed. Engl., 57:7220-7224, 2018; PubMed: 29601130; DOI: 10.1002/anie.201801666

Experimental method

X-RAY DIFFRACTION (2.05 Å)