5OGQ

Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor

Summary for 5OGQ

Entry DOI	10.2210/pdb5ogq/pdb
Related	3QSD 3S3Q 3S3R 4I04 4I05 4I07
Descriptor	Cathepsin B-like peptidase (C01 family), ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate, 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	87533.17
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 (1.91 Å)

Structure validation