4XII
X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
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) | Cholinesterase | polymer | 544 | 61491.4 | 2 | UniProt (P06276) Pfam (PF00135) | Homo sapiens (Human) | Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase |
| 2 | C (C) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 1 | In PDB GlyTouCan (G28454KX) | |||
| 3 | D, E, F, G (D, E, F, G) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 4 | In PDB GlyTouCan (G42666HT) | |||
| 4 | H, S (A, B) | N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide | non-polymer | 504.6 | 2 | Chemie (40V) | |||
| 5 | AA, BA, I, K, T... (B, A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 10 | Chemie (NAG) | |||
| 6 | J, M, X (A, B) | beta-L-fucopyranose | non-polymer | 164.2 | 3 | Chemie (FUL) | |||
| 7 | L (A) | alpha-L-fucopyranose | non-polymer | 164.2 | 1 | Chemie (FUC) | |||
| 8 | CA, N, O, P (B, A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 9 | DA, EA, Q, R (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 10 | FA, GA (A, B) | water | water | 18.0 | 62 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 122982.8 | |
| Branched | Number of molecules | 5 |
| Total formula weight | 2268.1 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 4267.9 | |
| All* | Total formula weight | 129518.9 |
