PDB ID: 4Y45
Hetero Atom Contents
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Color scheme of protein:
Code | Name | Style | Show | Link | |
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ACT | Acetate ion | PoSSuM | |||
DMS | Dimethyl sulfoxide | PoSSuM | |||
F91 | N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine | PoSSuM | |||
GOL | Glycerol | PoSSuM |
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Download interaction data: 4Y45
Structure summary
Code : | 4Y45 PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE | ||||||||||||
Title : | Endothiapepsin in complex with fragment 291 | ||||||||||||
Release Data : | 2016-02-17 | ||||||||||||
Compound : |
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Authors : | Wang, X., Heine, A., Klebe, G. | ||||||||||||
Keywords : | fragment screening, hydrolase, inhibition | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 1.06 Å ) | ||||||||||||
Citation : |
Crystallographic Fragment Screening of an Entire Library
Wang, X.,Heine, A.,Klebe, G.
A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
Koester, H.,Craan, T.,Brass, S.
et al.
PubMed: 21972967 |
Reaction
Chain : | A | ||||||||
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UniProt : | P11838 (CARP_CRYPA) | ||||||||
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