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Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A
(A)
Endothiapepsinpolymer33033813.91UniProt (P11838)
Pfam (PF00026)
Cryphonectria parasitica (Chestnut blight fungus)Aspartate protease
2B, C, D, E, F...
(A)
DIMETHYL SULFOXIDEnon-polymer78.16Chemie (DMS)
3H
(A)
GLYCEROLnon-polymer92.11Chemie (GOL)
4I
(A)
2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamidenon-polymer216.21Chemie (47V)
5J, K
(A)
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-aminenon-polymer242.32Chemie (F91)
6L
(A)
N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanaminenon-polymer204.21Chemie (F63)
7M
(A)
waterwater18.0386Chemie (HOH)
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight33813.9
Non-Polymers*Number of molecules11
Total formula weight1465.9
All*Total formula weight35279.8
*Water molecules are not included.

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PDB entries from 2024-11-06

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