2HRQ
Crystal structure of Human Liver Carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Soman (GD)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, D, E...) | Liver carboxylesterase 1 | polymer | 532 | 58672.2 | 6 | UniProt (Q9UK77) Pfam (PF00135) UniProt (by SIFTS) (P23141) | Homo sapiens (human) | Acyl coenzyme A:cholesterol acyltransferase, ACAT, Monocyte/macrophage serine esterase, HMSE, Serine esterase 1, Brain carboxylesterase hBr1, Triacylglycerol hydrolase, TGH, Egasyn |
| 2 | G, H, I, J, K... (G, H, I, J, K...) | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | branched | 342.3 | 6 | In PDB BIRD (PRD_900003) | sucrose | ||
| 3 | BA, GA, KA, M, R... (D, E, F, A, B...) | (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE | non-polymer | 164.2 | 6 | Chemie (GD7) | |||
| 4 | CA, HA, MA, N, S... (D, E, F, A, B...) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 6 | Chemie (NAG) | |||
| 5 | DA, IA, NA, O, T... (D, E, F, A, B...) | N-acetyl-alpha-neuraminic acid | non-polymer | 309.3 | 6 | Chemie (SIA) | |||
| 6 | AA, EA, FA, JA, LA... (C, D, E, F, A...) | SULFATE ION | non-polymer | 96.1 | 12 | Chemie (SO4) | |||
| 7 | QA, RA, SA, TA, UA... (A, B, C, D, E...) | water | water | 18.0 | 1115 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F: 1021 - 1553 (UniProt: Q9UK77)
| PDB | External Database | Details |
|---|---|---|
| - | Gln 362 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 352033.4 | |
| Branched | Number of molecules | 6 |
| Total formula weight | 2053.8 | |
| Non-Polymers* | Number of molecules | 30 |
| Total formula weight | 5320.7 | |
| All* | Total formula weight | 359407.9 |
