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3T6I

Endothiapepsin in complex with an azepin derivative

Summary for 3T6I
Entry DOI10.2210/pdb3t6i/pdb
Related3T7P 3T7Q 3T7X
DescriptorEndothiapepsin, (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 Keywordshydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceCryphonectria parasitica (Chesnut blight fungus)
Total number of polymer chains1
Total formula weight35368.79
Authors
Koester, H.,Heine, A.,Klebe, G. (deposition date: 2011-07-28, release date: 2012-08-01, Last modification date: 2023-09-13)
Primary citationKoester, 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)
Structure validation

217705

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