2XMD
G117H mutant of human butyrylcholinesterase in complex with echothiophate
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, 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 (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 | 1 | In PDB GlyTouCan (G21290RB) | |||
| 4 | E, F, G, H, I... (A) | UNKNOWN ATOM OR ION | non-polymer | 21 | Chemie (UNX) | ||||
| 5 | Z (A) | DIETHYL PHOSPHONATE | non-polymer | 138.1 | 1 | Chemie (DEP) | |||
| 6 | AA (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | BA, CA, DA, KA (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 8 | EA (A) | BROMIDE ION | non-polymer | 79.9 | 1 | Chemie (BR) | |||
| 9 | FA, LA (A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 10 | GA (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 11 | HA, IA, JA (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 12 | MA (A) | water | water | 18.0 | 285 | 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 | 1711.6 | |
| Non-Polymers* | Number of molecules | 34 |
| Total formula weight | 1205.6 | |
| All* | Total formula weight | 62711.8 |
