6H12: Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea

PDB ID: 6H12Download
MMDB ID: 175363
PDB Deposition Date: 2018/7/10
Updated in MMDB: 2019/06
Experimental Method:
x-ray diffraction
Resolution: 2.2  Å
Source Organism:
Similar Structures:
Biological Unit for 6H12: dimeric; determined by author
Molecular Components in 6H12
Label Count Molecule
Proteins (2 molecules)
2
Acetylcholinesterase
Molecule annotation
Chemicals and Non-standard biopolymers (43 molecules)
1
4
2-(N-MORPHOLINO)-ETHANESULFONIC ACID2-(N-MORPHOLINO)-ETHANESULFONIC ACID
2
3
GLYCEROLGLYCEROL
3
2
TRIETHYLENE GLYCOLTRIETHYLENE GLYCOL
4
13
1,2-ETHANEDIOL1,2-ETHANEDIOL
5
2
SULFATE IONSULFATE ION
6
8
DI(HYDROXYETHYL)ETHERDI(HYDROXYETHYL)ETHER
7
5
N-ACETYL-D-GLUCOSAMINEN-ACETYL-D-GLUCOSAMINE
8
4
CHLORIDE IONCHLORIDE ION
9
2
1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea
* 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