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
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Acetylcholinesterase | polymer | 565 | 63764.0 | 2 | UniProt (P04058) Pfam (PF00135) | Tetronarce californica (Pacific electric ray) | AChE |
| 2 | C, D, E, N, O... (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 6 | Chemie (NAG) | |||
| 3 | F, R (A, B) | [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 | non-polymer | 673.8 | 2 | Chemie (FJN) | |||
| 4 | G, H, I, J, K... (A, B) | CHLORIDE ION | non-polymer | 35.5 | 13 | Chemie (CL) | |||
| 5 | AA, L (B, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 6 | BA, CA, M (B, A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 7 | DA, Q (B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 2 | Chemie (MES) | |||
| 8 | EA, FA (A, B) | water | water | 18.0 | 220 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 127527.9 | |
| Non-Polymers* | Number of molecules | 28 |
| Total formula weight | 4014.8 | |
| All* | Total formula weight | 131542.7 |
