5MRD

Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket

Summary for 5MRD

Entry DOI	10.2210/pdb5mrd/pdb
Descriptor	3-phosphoinositide-dependent protein kinase 1, ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... (6 entities in total)
Functional Keywords	protein kinase, allosteric regulation, small compounds, pif-pocket, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	36519.97
Authors	Arencibia, J.M.,Froehner, W.,Krupa, M.,Pastor-Flores, D.,Merker, P.,Oellerich, T.,Neimanis, S.,Schmithals, C.,Koeberle, V.,Suess, E.,Zeuzem, S.,Stark, H.,Piiper, A.,Odadzic, D.,Schulze, J.O.,Biondi, R.M. (deposition date: 2016-12-22, release date: 2017-01-18, Last modification date: 2024-01-17)
Primary citation	Arencibia, J.M.,Frohner, W.,Krupa, M.,Pastor-Flores, D.,Merker, P.,Oellerich, T.,Neimanis, S.,Schmithals, C.,Koberle, V.,Su, E.,Zeuzem, S.,Stark, H.,Piiper, A.,Odadzic, D.,Schulze, J.O.,Biondi, R.M. An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms. ACS Chem. Biol., 12:564-573, 2017 Cited by PubMed: 28045490 DOI: 10.1021/acschembio.6b00827 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.41 Å)

Structure validation