7QBQ
Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Cholinesterase | polymer | 529 | 59713.5 | 1 | UniProt (P06276) Pfam (PF00135) In PDB | Homo sapiens (Human) | Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase |
| 2 | B, C | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 2 | In PDB GlyTouCan (G86851RC) | |||
| 3 | D, E | 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) | |||
| 4 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 5 | A | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide | non-polymer | 278.3 | 2 | Chemie (AI0) | |||
| 6 | A | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 7 | A | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 8 | water | water | 18.0 | 91 | 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 | 4 |
| Total formula weight | 1875.8 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1585.7 | |
| All* | Total formula weight | 63175.0 |
