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
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001507 | biological_process | acetylcholine catabolic process in synaptic cleft |
| A | 0003990 | molecular_function | acetylcholinesterase activity |
| A | 0004104 | molecular_function | cholinesterase activity |
| A | 0005615 | cellular_component | extracellular space |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006581 | biological_process | acetylcholine catabolic process |
| A | 0016020 | cellular_component | membrane |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0019695 | biological_process | choline metabolic process |
| A | 0043083 | cellular_component | synaptic cleft |
| A | 0045202 | cellular_component | synapse |
| A | 0052689 | molecular_function | carboxylic ester hydrolase activity |
| A | 0098552 | cellular_component | side of membrane |
| B | 0001507 | biological_process | acetylcholine catabolic process in synaptic cleft |
| B | 0003990 | molecular_function | acetylcholinesterase activity |
| B | 0004104 | molecular_function | cholinesterase activity |
| B | 0005615 | cellular_component | extracellular space |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006581 | biological_process | acetylcholine catabolic process |
| B | 0016020 | cellular_component | membrane |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0019695 | biological_process | choline metabolic process |
| B | 0043083 | cellular_component | synaptic cleft |
| B | 0045202 | cellular_component | synapse |
| B | 0052689 | molecular_function | carboxylic ester hydrolase activity |
| B | 0098552 | cellular_component | side of membrane |
Functional Information from PROSITE/UniProt
| site_id | PS00122 |
| Number of Residues | 16 |
| Details | CARBOXYLESTERASE_B_1 Carboxylesterases type-B serine active site. FGGdpktVtIfGeSAG |
| Chain | Residue | Details |
| A | PHE187-GLY202 | |
| site_id | PS00941 |
| Number of Residues | 11 |
| Details | CARBOXYLESTERASE_B_2 Carboxylesterases type-B signature 2. EDCLYLNIWvP |
| Chain | Residue | Details |
| A | GLU92-PRO102 | |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Acyl-ester intermediate |
| Chain | Residue | Details |
| A | SER200 | |
| B | SER200 | |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Charge relay system |
| Chain | Residue | Details |
| A | GLU327 | |
| A | HIS440 | |
| B | GLU327 | |
| B | HIS440 | |
| Chain | Residue | Details |
| A | SER543 | |
| B | SER543 | |
| Chain | Residue | Details |
| A | ASN59 | |
| B | ASN59 | |
| Chain | Residue | Details |
| A | ASN416 | |
| B | ASN416 | |
| Chain | Residue | Details |
| A | ASN457 | |
| A | ASN533 | |
| B | ASN457 | |
| B | ASN533 | |
