8AM1
Human butyrylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cholinesterase | polymer | 529 | 59713.5 | 1 | UniProt (P06276) Pfam (PF00135) | Homo sapiens (human) | Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase |
| 2 | B, C (B, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 2 | In PDB GlyTouCan (G21290RB) | |||
| 3 | D, E, F, G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 4 | H (A) | AMMONIUM ION | non-polymer | 18.0 | 1 | Chemie (NH4) | |||
| 5 | I, J, K, L (A) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 6 | M, N, O, P, Q... (A) | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 7 | T, U (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 8 | V, W (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 9 | X, Y (A) | N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | non-polymer | 221.3 | 2 | Chemie (LWL) | |||
| 10 | Z (A) | water | water | 18.0 | 95 | Chemie (HOH) |
Sequence modifications
A: 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 | 59713.5 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1141.1 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 2284.9 | |
| All* | Total formula weight | 63139.5 |
