8R8E

DYRK1a in Complex with 2-Cyclopentyl-7-iodo-1H-indole-3-carbonitrile

Summary for 8R8E

• Entry DOI: 10.2210/pdb8r8e/pdb
• Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, PHOSPHATE ION, ... (12 entities in total)
• Functional Keywords: small molecule, kinase, halogen bond, water interaction, transferase
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 4
• Total formula weight: 176130.03

Authors

Stahlecker, J.,Dammann, M.,Stehle, T.,Boeckler, F.M. (deposition date: 2023-11-29, release date: 2024-09-25)

• Primary citation: Engelhardt, M.U.,Zimmermann, M.O.,Dammann, M.,Stahlecker, J.,Poso, A.,Kronenberger, T.,Kunick, C.,Stehle, T.,Boeckler, F.M.; Halogen Bonding on Water─A Drop in the Ocean?; J Chem Theory Comput, 2024; PubMed: 39291905; DOI: 10.1021/acs.jctc.4c00834

Experimental method

X-RAY DIFFRACTION (2.22 Å)