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
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Acetylcholinesterase | polymer | 565 | 63764.0 | 2 | UniProt (P04058) Pfam (PF00135) In PDB | Tetronarce californica (Pacific electric ray) | AChE |
2 | C | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
3 | A, B | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
4 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
5 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
6 | A, B | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
7 | A, B | 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]urea | non-polymer | 613.7 | 2 | Chemie (FW8) | |||
8 | A, B | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 2 | Chemie (PGE) | |||
9 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
10 | B | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
11 | B | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
12 | water | water | 18.0 | 1082 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 127527.9 | |
Branched | Number of molecules | 1 |
Total formula weight | 424.4 | |
Non-Polymers* | Number of molecules | 23 |
Total formula weight | 3747.4 | |
All* | Total formula weight | 131699.7 |