8QKE

PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MH-13)

Summary for 8QKE

Entry DOI	10.2210/pdb8qke/pdb
Descriptor	subtilisin, Peptidomimetic Inhibitor (MH-13), CALCIUM ION, ... (6 entities in total)
Functional Keywords	subtilisin, alpha-ketoamides, sar, hydrolase
Biological source	Plasmodium vivax (malaria parasite P. vivax) More
Total number of polymer chains	4
Total formula weight	141681.98
Authors	Batista, F.A.,Martinez, M.,Bouillon, A.,Mechaly, A.,Alzari, P.M.,Haouz, A.,Barale, J.C. (deposition date: 2023-09-15, release date: 2024-03-20, Last modification date: 2024-04-03)
Primary citation	Legru, A.,Batista, F.A.,Puszko, A.K.,Bouillon, A.,Maurel, M.,Martinez, M.,Ejjoummany, A.,Ortega Varga, L.,Adler, P.,Mechaly, A.,Hadjadj, M.,Sosnowski, P.,Hopfgartner, G.,Alzari, P.M.,Blondel, A.,Haouz, A.,Barale, J.C.,Hernandez, J.F. Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1. Eur.J.Med.Chem., 269:116308-116308, 2024 Cited by PubMed: 38503166 DOI: 10.1016/j.ejmech.2024.116308 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.504 Å)

Structure validation