7Q1M
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
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 (B) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 3 | C, D (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 | E, K, L (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | F, G, H (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 6 | I (A) | N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide | non-polymer | 380.5 | 1 | Chemie (8IS) | |||
| 7 | J (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | M, N, O, P, Q... (A) | CHLORIDE ION | non-polymer | 35.5 | 6 | Chemie (CL) | |||
| 9 | S (A) | water | water | 18.0 | 119 | 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 | 14 |
| Total formula weight | 1637.1 | |
| All* | Total formula weight | 62859.1 |
