7Q1O
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-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 (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, D (B, 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 | 3 | In PDB GlyTouCan (G21290RB) | |||
| 3 | E, F, G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 4 | H, J, K (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 5 | I (A) | N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide | non-polymer | 394.6 | 1 | Chemie (9CI) | |||
| 6 | L (A) | GLYCOLIC ACID | non-polymer | 76.1 | 1 | Chemie (GOA) | |||
| 7 | M, N, O, P, Q... (A) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 8 | S (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 9 | T (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 10 | U (A) | water | water | 18.0 | 116 | 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 | 1711.6 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 2045.3 | |
| All* | Total formula weight | 63470.5 |
