7Q1P
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
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 | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
3 | C, 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 | 2 | In PDB GlyTouCan (G21290RB) | |||
4 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
6 | A | N-[(2R)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide | non-polymer | 394.6 | 1 | Chemie (8UW) | |||
7 | A | GLYCOLIC ACID | non-polymer | 76.1 | 1 | Chemie (GOA) | |||
8 | A | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
9 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
10 | A | CHLORIDE ION | non-polymer | 35.5 | 8 | Chemie (CL) | |||
11 | water | water | 18.0 | 145 | 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 | 3 |
Total formula weight | 1508.4 | |
Non-Polymers* | Number of molecules | 21 |
Total formula weight | 2097.4 | |
All* | Total formula weight | 63319.3 |