3T6I

Endothiapepsin in complex with an azepin derivative

Summary for 3T6I

• Entry DOI: 10.2210/pdb3t6i/pdb
• Related: 3T7P 3T7Q 3T7X
• Descriptor: Endothiapepsin, (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium, (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium, ... (9 entities in total)
• Functional Keywords: hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Cryphonectria parasitica (Chesnut blight fungus)
• Total number of polymer chains: 1
• Total formula weight: 35368.79

Authors

Koester, H.,Heine, A.,Klebe, G. (deposition date: 2011-07-28, release date: 2012-08-01, Last modification date: 2024-11-06)

• Primary citation: Koester, H.,Heine, A.,Diederich, W.E.,Klebe, G.; Endothiapepsin in complex with an azepin derivative; To be Published,

Experimental method

X-RAY DIFFRACTION (1.32 Å)