4B0P
Crystal structure of soman-aged human butyrylcholinesterase in complex with methyl 2-(pentafluorobenzyloxyimino)pyridinium
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | CHOLINESTERASE | polymer | 529 | 59791.5 | 1 | UniProt (P06276) Pfam (PF00135) In PDB | HOMO SAPIENS (HUMAN) | BUTYRYLCHOLINESTERASE, ACYLCHOLINE ACYLHYDROLASE, BUTYRYLCHOLINE ESTERASE, CHOLINE ESTERASE II, PSEUDOCHOLINESTERASE |
| 2 | 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 | A | GLYCINE | non-polymer | 75.1 | 1 | Chemie (GLY) | |||
| 4 | A | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 5 | A | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 6 | A | 1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine | non-polymer | 317.2 | 1 | Chemie (MF5) | |||
| 7 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 8 | A | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 9 | A | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 10 | water | water | 18.0 | 188 | Chemie (HOH) |
Sequence modifications
A: 1 - 529 (UniProt: P06276)
| PDB | External Database | Details |
|---|---|---|
| Gln 17 | Asn 45 | conflict |
| Gln 384 | Asn 412 | conflict |
| Gln 455 | Asn 483 | conflict |
| Gln 481 | Asn 509 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 59791.5 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1141.1 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 1664.3 | |
| All* | Total formula weight | 62596.9 |
