6H14: 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)pyridin-2-yl)urea

PDB ID: 6H14Download
MMDB ID: 175365
PDB Deposition Date: 2018/7/10
Updated in MMDB: 2019/10
Experimental Method:
x-ray diffraction
Resolution: 1.86  Å
Source Organism:
Similar Structures:
Biological Unit for 6H14: trimeric; determined by author and by software (PISA)
Molecular Components in 6H14
Label Count Molecule
Proteins (3 molecules)
3
Acetylcholinesterase
Molecule annotation
Chemicals and Non-standard biopolymers (37 molecules)
1
10
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
12
1,2-ETHANEDIOL1,2-ETHANEDIOL
3
2
DI(HYDROXYETHYL)ETHERDI(HYDROXYETHYL)ETHER
4
3
GLYCEROLGLYCEROL
5
3
1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea
6
3
TRIETHYLENE GLYCOLTRIETHYLENE GLYCOL
7
2
SULFATE IONSULFATE ION
8
1
CHLORIDE IONCHLORIDE ION
9
1
2-(N-MORPHOLINO)-ETHANESULFONIC ACID2-(N-MORPHOLINO)-ETHANESULFONIC ACID
* 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