9I02
Structure of recombinant human butyrylcholinesterase in complex with (S)-N-((1-benzylpyrrolidin-3-yl)methyl)-N-methylnaphthalene-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, 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 (E) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 4 | F, G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 5 | H, J, K, M, N (A) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 6 | I (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 7 | L (A) | ~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide | non-polymer | 394.5 | 1 | Chemie (A1IYP) | |||
| 8 | O (A) | PROPANOIC ACID | non-polymer | 74.1 | 1 | Chemie (PPI) | |||
| 9 | P (A) | N-acetyl-alpha-neuraminic acid | non-polymer | 309.3 | 1 | Chemie (SIA) | |||
| 10 | Q, R, S, T (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 11 | U, V (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 12 | W (A) | water | water | 18.0 | 99 | 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 | 4 |
| Total formula weight | 2079.0 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 2331.2 | |
| All* | Total formula weight | 64123.6 |
