5OGR

Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor

Summary for 5OGR

Entry DOI	10.2210/pdb5ogr/pdb
Related	3QSD 3S3Q 3S3R 4I04 4I05 4I07
Descriptor	Cathepsin B-like peptidase (C01 family), 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, ACETATE ION, ... (4 entities in total)
Functional Keywords	protease, parasite, inhibitor, vinyl sulfone, hydrolase
Biological source	Schistosoma mansoni (Blood fluke)
Total number of polymer chains	3
Total formula weight	87564.27
Authors	Jilkova, A.,Rezacova, P.,Brynda, J.,Mares, M. (deposition date: 2017-07-13, release date: 2018-11-21, Last modification date: 2024-01-17)
Primary citation	Jilkova, A.,Rubesova, P.,Fanfrlik, J.,Fajtova, P.,Rezacova, P.,Brynda, J.,Lepsik, M.,Mertlikova-Kaiserova, H.,Emal, C.D.,Renslo, A.R.,Roush, W.R.,Horn, M.,Caffrey, C.R.,Mares, M. Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors. Acs Infect Dis., 2020 Cited by PubMed: 33175511 DOI: 10.1021/acsinfecdis.0c00501 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.55 Å)

Structure validation