7QHE
Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide
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 | 59713.5 | 1 | UniProt (P06276) Pfam (PF00135) In PDB | Homo sapiens (human) | Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase |
2 | B, 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 | 2 | In PDB GlyTouCan (G21290RB) | |||
3 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
4 | A | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
5 | A | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide | non-polymer | 625.8 | 1 | Chemie (C4I) | |||
6 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
7 | A | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
8 | A | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
9 | water | water | 18.0 | 133 | Chemie (HOH) |
Sequence modifications
A: 1 - 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 | 59713.5 | |
Branched | Number of molecules | 2 |
Total formula weight | 1141.1 | |
Non-Polymers* | Number of molecules | 17 |
Total formula weight | 2334.3 | |
All* | Total formula weight | 63188.9 |