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 Cited by PubMed: 39291905DOI: 10.1021/acs.jctc.4c00834 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.22 Å) |
Structure validation
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