6RON

Endothiapepsin in complex with compound 046

Summary for 6RON

• Entry DOI: 10.2210/pdb6ron/pdb
• Descriptor: Endothiapepsin, [(1~{S},2~{R})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane, GLYCEROL, ... (5 entities in total)
• Functional Keywords: aspartic proteinase, endothiapepsin, complex with tetrazole, inhibitor, hydrolase
• Biological source: Cryphonectria parasitica (Chestnut blight fungus)
• Total number of polymer chains: 1
• Total formula weight: 34484.74

Authors

Magari, F.,Heine, A.,Klebe, G. (deposition date: 2019-05-13, release date: 2020-07-08)

• Primary citation: Magari, F.,Heine, A.,Konstantinidou, M.,Sutanto, F.,Haupenthal, J.,Jumde, R.V.,Unver, M.Y.,Camacho, C.J.,Hirsch, A.K.H.,Doemling, A.,Klebe, G.; Endothiapepsin in complex with compound 046; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.15 Å)