2XMC
G117H mutant of human butyrylcholinesterase in complex with fluoride anion
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 | 59794.6 | 1 | UniProt (P06276) Pfam (PF00135) | HOMO SAPIENS (HUMAN) | ACYLCHOLINE ACYLHYDROLASE, CHOLINE ESTERASE II, BUTYRYLCHOLINESTERASE, PSEUDOCHOLINESTERASE |
| 2 | B, D (B, 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 | 2 | In PDB GlyTouCan (G21290RB) | |||
| 3 | C (C) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 4 | E, F, G, H, I... (A) | UNKNOWN ATOM OR ION | non-polymer | 17 | Chemie (UNX) | ||||
| 5 | V (A) | FLUORIDE ION | non-polymer | 19.0 | 1 | Chemie (F) | |||
| 6 | W (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | AA, FA, X, Y, Z (A) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 8 | BA (A) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 9 | CA, DA, EA (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 10 | GA (A) | water | water | 18.0 | 229 | Chemie (HOH) |
Sequence modifications
A: 1 - 529 (UniProt: P06276)
| PDB | External Database | Details |
|---|---|---|
| Gln 17 | Asn 45 | engineered mutation |
| His 117 | Gly 145 | 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 | 59794.6 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1508.4 | |
| Non-Polymers* | Number of molecules | 28 |
| Total formula weight | 995.0 | |
| All* | Total formula weight | 62298.1 |
