5K5E

3D Structure View

CAVITIES

STRUCTURE SETTINGS

LIGANDS

Bioassembly 5K5E_1

Chain 5K5E_A

Chain 5K5E_B

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GENERAL

TITLE

DISCOVERY AND STRUCTURE-ACTIVITY RELATIONSHIPS OF A HIGHLY SELECTIVE BUTYRYLCHOLINESTERASE INHIBITOR BY STRUCTURE-BASED VIRTUAL SCREENING

DATE LAST MODIFIED

29 Jul 2020

RELEASE

27 Jul 2016

OBSOLETE

CLASSIFICATION

HYDROLASE

EXPERIMENT TYPE

X-RAY DIFFRACTION

SPACE GROUP

P 21 21 21

RESOLUTION RANGE HIGH

2.8

RESOLUTION RANGE LOW

PUBMED ID

DOI

10.1021/ACS.JMEDCHEM.6B00356

PDBe

LIGANDS

Structure Chain	Target Protein	Gene	Expression System	Organism	Synonims	Actions
	P06276	BCHE, CHE1	DROSOPHILA MELANOGASTER	HUMAN	ACYLCHOLINE ACYLHYDROLASE,BUTYRYLCHOLINE ESTERASE, ...	Mutations
	P06276	BCHE, CHE1	DROSOPHILA MELANOGASTER	HUMAN	ACYLCHOLINE ACYLHYDROLASE,BUTYRYLCHOLINE ESTERASE, ...	Mutations

NGL Viewer is used for the molecular visualization.

AS Rose, AR Bradley, Y Valasatava, JM Duarte, A Prlić and PW Rose. NGL viewer: web-based molecular graphics for large complexes. Bioinformatics: bty419, 2018. doi:10.1093/bioinformatics/bty419
AS Rose and PW Hildebrand. NGL Viewer: a web application for molecular visualization. Nucl Acids Res (1 July 2015) 43 (W1): W576-W579 first published online April 29, 2015. doi:10.1093/nar/gkv402