9F6R
Crystal structure of human acetylcholinesterase in complex with the uncharged hybrid reactivator quinoline-3-hydroxy-pyridinaldoxime
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, B (A, B) | Acetylcholinesterase | polymer | 543 | 59618.3 | 2 | UniProt (P22303) Pfam (PF00135) | Myxococcaceae | AChE |
| 2 | C (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) | |||
| 3 | D (D) | 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 | E (H) | N-acetyl-alpha-neuraminic acid-(2-3)-beta-L-galactopyranose | branched | 471.4 | 1 | In PDB GlyTouCan (G43945QB) | |||
| 5 | DD, ED, F, FD, G... (B, A) | SULFATE ION | non-polymer | 96.1 | 25 | Chemie (SO4) | |||
| 6 | AA, QD, RD, S, SD... (A, B) | GLYCEROL | non-polymer | 92.1 | 14 | Chemie (GOL) PubChem (753) | |||
| 7 | BA, TD (A, B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) PubChem (23831) | |||
| 8 | CA (A) | 2-[(~{Z})-hydroxyiminomethyl]-6-[4-(quinolin-4-ylamino)butyl]pyridin-3-ol | non-polymer | 336.4 | 1 | Chemie (A1IAS) PubChem (177692618) | |||
| 9 | AE, BE, CE, DA, DE... (B, A) | CHLORIDE ION | non-polymer | 35.5 | 43 | Chemie (CL) PubChem (312) | |||
| 10 | AB, AC, AF, AG, BB... (A, B) | SODIUM ION | non-polymer | 23.0 | 82 | Chemie (NA) PubChem (923) | |||
| 11 | AD, BD, CD, FG, GG... (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 16 | Chemie (MG) PubChem (888) | |||
| 12 | PD (B) | N-Acetyl-D-Talosamine | non-polymer | 221.2 | 1 | Chemie (A1AAJ) PubChem (11888574) | |||
| 13 | WD (B) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) PubChem (175) | |||
| 14 | IG, JG (A, B) | water | water | 18.0 | 371 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 119236.5 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1774.6 | |
| Non-Polymers* | Number of molecules | 185 |
| Total formula weight | 8582.7 | |
| All* | Total formula weight | 129593.8 |
