6QAC
Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(3-cycloheptylpropyl)-3-(1H-indol-3-yl)propanamide
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 | 557 | 63029.7 | 1 | UniProt (P06276) Pfam (PF00135) In PDB | Homo sapiens (Human) | Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase |
| 2 | B | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 3 | C | 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 | D | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 5 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 6 | A | (2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide | non-polymer | 397.6 | 1 | Chemie (HUT) | |||
| 7 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 8 | A | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 9 | water | water | 18.0 | 72 | Chemie (HOH) |
Sequence modifications
A: -27 - 529 (UniProt: P06276)
| PDB | External Database | Details |
|---|---|---|
| Asp -26 | His 2 | conflict |
| 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 | 63029.7 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1362.3 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1523.6 | |
| All* | Total formula weight | 65915.6 |
