Brand  (β version)

PDB ID: 5OGQ

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Ligands
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9U8 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 PoSSuM
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Structure summary

Code : 5OGQ   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor
Release Data : 2018-11-21
Compound :
mol_id molecule chains synonym
1 Cathepsin B-like peptidase (C01 family) A,B,C Cathepsin B1 isotype 1
mutation: T168A, T283A
Source :
mol_id organism_scientific organism_common expression_system
1 Schistosoma mansoni  (taxid:6183) Blood fluke Pichia  (taxid:4919)
gene: cb1.1, Smp_103610
expression_system_variant: X-33
expression_system_vector_type: plasmid
expression_system_plasmid: pPICZalphaA
Authors : Jilkova, A., Rezacova, P., Brynda, J., Mares, M.
Keywords : protease, parasite, inhibitor, vinyl sulfone, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.9100 Å )
Citation :

Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors.

Jilkova, A.,Rubesova, P.,Fanfrlik, J.  et al.
(2020)  Acs Infect Dis. 

PubMed: 33175511
DOI: 10.1021/acsinfecdis.0c00501

Reaction

Chain : A, B, C
UniProt : Q8MNY2 (Q8MNY2_SCHMA)
Reaction : -