6ZWI
Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide)
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 | 59713.5 | 1 | UniProt (P06276) Pfam (PF00135) | Homo sapiens (Human) | Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase |
| 2 | B (B) | alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 894.8 | 1 | In PDB GlyTouCan (G26032DN) | |||
| 3 | C (C) | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | branched | 471.4 | 1 | In PDB GlyTouCan (G30207PZ) | |||
| 4 | D (D) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 5 | E, F (E, F) | 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) | |||
| 6 | G, H (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 7 | I (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | J (A) | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide | non-polymer | 563.7 | 1 | Chemie (QRH) | |||
| 9 | K (A) | PENTANOIC ACID | non-polymer | 102.1 | 1 | Chemie (LEA) | |||
| 10 | L, M, N, O (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 11 | P, Q, R, S (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 12 | T, U (A) | BROMIDE ION | non-polymer | 79.9 | 2 | Chemie (BR) | |||
| 13 | V (A) | water | water | 18.0 | 228 | 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 | 5 |
| Total formula weight | 2874.7 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1886.2 | |
| All* | Total formula weight | 64474.4 |
