2XQG
X-ray Structure of human butyrylcholinesterase inhibited by racemic VR
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 | 527 | 59469.3 | 1 | UniProt (P06276) Pfam (PF00135) | HOMO SAPIENS (HUMAN) | ACYLCHOLINE ACYLHYDROLASE, CHOLINE ESTERASE II, BUTYRYLCHOLINE ESTERASE, PSEUDOCHOLINESTERASE |
| 2 | B, C (B, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 2 | In PDB GlyTouCan (G28454KX) | |||
| 3 | D, E, F, G, H... (A) | UNKNOWN ATOM OR ION | non-polymer | 23 | Chemie (UNX) | ||||
| 4 | AA (A) | 2-METHYLPROPYL HYDROGEN (R)-METHYLPHOSPHONATE | non-polymer | 152.1 | 1 | Chemie (VR) | |||
| 5 | BA (A) | GLYCINE | non-polymer | 75.1 | 1 | Chemie (GLY) | |||
| 6 | CA, DA (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 7 | EA, FA, GA (A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 8 | HA (A) | BROMIDE ION | non-polymer | 79.9 | 1 | Chemie (BR) | |||
| 9 | IA, OA (A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 10 | JA, KA, LA, MA (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 11 | NA (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 12 | PA (A) | water | water | 18.0 | 419 | Chemie (HOH) |
Sequence modifications
A: 3 - 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 | 59469.3 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1141.1 | |
| Non-Polymers* | Number of molecules | 38 |
| Total formula weight | 1585.7 | |
| All* | Total formula weight | 62196.1 |
