5DYT
Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-methylnaphthalene-2-sulfonamide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Cholinesterase | polymer | 530 | 59774.5 | 2 | UniProt (P06276) Pfam (PF00135) In PDB | Homo sapiens (Human) | Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase |
2 | C, E, G | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 3 | In PDB GlyTouCan (G21290RB) | |||
3 | D, F, H | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
4 | I | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
5 | A, B | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 8 | Chemie (NAG) | |||
6 | B, A | N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide | non-polymer | 408.6 | 2 | Chemie (5HB) | |||
7 | B, A | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
8 | B, A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
9 | B, A | UNKNOWN ATOM OR ION | non-polymer | 6 | Chemie (UNX) | ||||
10 | B | beta-L-fucopyranose | non-polymer | 164.2 | 1 | Chemie (FUL) | |||
11 | B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
12 | water | water | 18.0 | 232 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 119549.0 | |
Branched | Number of molecules | 7 |
Total formula weight | 3352.2 | |
Non-Polymers* | Number of molecules | 27 |
Total formula weight | 3565.8 | |
All* | Total formula weight | 126467.0 |