8AI7
Structure of carbamoylated human butyrylcholinesterase upon reaction with 3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl N,N-dimethylcarbamate
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | F | Cholinesterase | polymer | 529 | 59784.6 | 1 | UniProt (P06276) Pfam (PF00135) In PDB | Homo sapiens (human) | Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase |
| 2 | B, C, E | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 3 | In PDB GlyTouCan (G86851RC) | |||
| 3 | D | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 1 | In PDB GlyTouCan (G21290RB) | |||
| 4 | F | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | F | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 6 | F | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 7 | F | 3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol | non-polymer | 300.4 | 1 | Chemie (M8X) | |||
| 8 | F | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 9 | F | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 10 | water | water | 18.0 | 202 | Chemie (HOH) |
Sequence modifications
F: 1 - 529 (UniProt: P06276)
| PDB | External Database | Details |
|---|---|---|
| Gln 17 | Asn 45 | engineered mutation |
| Gln 455 | Asn 483 | engineered mutation |
| Gln 481 | Asn 509 | engineered mutation |
| Gln 486 | Asn 514 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 59784.6 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 1672.6 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 1670.6 | |
| All* | Total formula weight | 63127.8 |
