6H13: Crystal structure of TcACHE complexed to1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea

PDB ID: 6H13Download
MMDB ID: 175364
PDB Deposition Date: 2018/7/10
Updated in MMDB: 2019/06
Experimental Method:
x-ray diffraction
Resolution: 2.8  Å
Source Organism:
Similar Structures:
Biological Unit for 6H13: dimeric; determined by author and by software (PISA)
Molecular Components in 6H13
Label Count Molecule
Proteins (2 molecules)
2
Acetylcholinesterase
Molecule annotation
Chemicals and Non-standard biopolymers (26 molecules)
1
6
N-ACETYL-D-GLUCOSAMINEN-ACETYL-D-GLUCOSAMINE
2
2
2-(N-MORPHOLINO)-ETHANESULFONIC ACID2-(N-MORPHOLINO)-ETHANESULFONIC ACID
3
2
[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium
4
11
CHLORIDE IONCHLORIDE ION
5
2
DI(HYDROXYETHYL)ETHERDI(HYDROXYETHYL)ETHER
6
3
GLYCEROLGLYCEROL
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303