7P1N
Crystal structure of human acetylcholinesterase in complex with (2R,3R,4S,5S,6R)-2-{4-[1-(4-{5-hydroxy-6-[(E)-(hydroxyimino)methyl]pyridin-2-yl}butyl)-1H-1,2,3-triazol-4-yl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triol oxime
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (aa, bb) | Acetylcholinesterase | polymer | 257 | 27775.5 | 2 | UniProt (P22303) Pfam (PF00135) | Homo sapiens (Human) | AChE |
| 2 | B, D (A, B) | Acetylcholinesterase | polymer | 282 | 31478.5 | 2 | UniProt (P22303) Pfam (PF00135) | Homo sapiens (Human) | AChE |
| 3 | E (C) | beta-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 | 732.7 | 1 | In PDB GlyTouCan (G32152BH) | |||
| 4 | F (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) | |||
| 5 | G (E) | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 674.6 | 1 | In PDB GlyTouCan (G00065MO) | |||
| 6 | H, I (aa) | (2R,3R,4S,5S,6R)-2-[4-[1-[4-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | non-polymer | 495.5 | 2 | Chemie (4J1) PubChem (166632299) | |||
| 7 | GA, HA, J, K, OA... (bb, aa, B, A) | SULFATE ION | non-polymer | 96.1 | 13 | Chemie (SO4) | |||
| 8 | AA, AB, BA, BB, CA... (A, B, bb, aa) | CHLORIDE ION | non-polymer | 35.5 | 26 | Chemie (CL) PubChem (312) | |||
| 9 | Q (aa) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 10 | IA, RA, SA, X, Y (bb, B, A) | MAGNESIUM ION | non-polymer | 24.3 | 5 | Chemie (MG) PubChem (888) | |||
| 11 | CB, DB, EB, FB (aa, A, bb, B) | water | water | 18.0 | 211 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 118508.1 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1977.8 | |
| Non-Polymers* | Number of molecules | 47 |
| Total formula weight | 3375.3 | |
| All* | Total formula weight | 123861.2 |
