Brand  (β version)

PDB ID: 6I0B

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Ligands
Code Name Style Show Link
9A5 (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide PoSSuM
CL Chloride ion PoSSuM
GOL Glycerol PoSSuM
MES 2-(N-morpholino)-ethanesulfonic acid PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
FUC Alpha-L-fucopyranose
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
Code Name Show

Structure summary

Code : 6I0B   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Human butyrylcholinesterase in complex with the S enantiomer of a chlorotacrine-tryptophan multi-target inhibitor.
Release Data : 2019-03-27
Compound :
mol_id molecule chains synonym
1 Cholinesterase A Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase,butyrylcholinesterase
ec: 3.1.1.8
mutation: N17Q, N455Q, N481Q, N486Q
other_details: (NAG) are N-acetylglucosamine(FUC) are fucose
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Cricetulus griseus  (taxid:10029)
gene: BCHE, CHE1
expression_system_common: Chinese Hamster
Authors : Brazzolotto, X., Nachon, F.
Keywords : butyrylcholinesterase, hydrolase, multi-target inhibitor
Exp. method : X-RAY DIFFRACTION ( 2.384 Å )
Citation :

Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.

Chalupova, K.,Korabecny, J.,Bartolini, M.  et al.
(2019)  Eur.J.Med.Chem.  168 : 491 - 514

PubMed: 30851693
DOI: 10.1016/j.ejmech.2019.02.021

Reaction

Chain : A
UniProt : P06276 (CHLE_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
an acylcholine + H2O = a carboxylate + choline + H(+) 3.1.1.8 PubMed:19368529, PubMed:19452557
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