9R9E
Recombinant human butyrylcholinesterase in complex with N-(3-methoxypropyl)-N-{[1-(prop-2-yn-1-yl)pyrrolidin-3-yl]methyl}naphthalene-2-sulfonamide
This is a non-PDB format compatible entry.
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, F (B, C, F) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 3 | In PDB GlyTouCan (G86851RC) | |||
| 3 | D, E (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 | G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 5 | H (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 6 | I (A) | ~{N}-(3-methoxypropyl)-~{N}-[[(3~{S})-1-prop-2-ynylpyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide | non-polymer | 400.5 | 1 | Chemie (A1JDO) PubChem (176490104) | |||
| 7 | J (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) PubChem (175) | |||
| 8 | K, L, M, N, O (A) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 9 | P (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) PubChem (312) | |||
| 10 | Q (A) | water | water | 18.0 | 172 | 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 | 5 |
| Total formula weight | 2243.1 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1288.6 | |
| All* | Total formula weight | 63245.3 |
