4X21

The MAP kinase JNK3 as target for halogen bonding

Summary for 4X21

Entry DOI	10.2210/pdb4x21/pdb
Related	2P33
Descriptor	Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide, CHLORIDE ION, ... (4 entities in total)
Functional Keywords	mapk, halogen bond complex, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	85573.30
Authors	Lange, A.,Buettner, F.M.,Guenther, M.B.,Zimmermann, M.O.,Hennig, S.,Laufer, S.A.,Stehle, T.,Boeckler, F. (deposition date: 2014-11-25, release date: 2015-11-11, Last modification date: 2024-01-10)
Primary citation	Lange, A.,Gunther, M.,Buttner, F.M.,Zimmermann, M.O.,Heidrich, J.,Hennig, S.,Zahn, S.,Schall, C.,Sievers-Engler, A.,Ansideri, F.,Koch, P.,Laemmerhofer, M.,Stehle, T.,Laufer, S.A.,Boeckler, F.M. Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond. J.Am.Chem.Soc., 137:14640-14652, 2015 Cited by PubMed: 26505827 DOI: 10.1021/jacs.5b07090 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation