2HRR
Crystal structure of Human Liver Carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Tabun (GA)
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 (A, B, C) | Liver carboxylesterase 1 | polymer | 532 | 58672.2 | 3 | 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 | D, E, F (D, E, F) | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | branched | 342.3 | 3 | In PDB BIRD (PRD_900003) | sucrose | ||
| 3 | G, L, P (A, B, C) | R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE | non-polymer | 137.1 | 3 | Chemie (NTJ) | |||
| 4 | H, M, R (A, B, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 5 | I, N, S (A, B, C) | N-acetyl-alpha-neuraminic acid | non-polymer | 309.3 | 3 | Chemie (SIA) | |||
| 6 | J, K, O, Q, T (A, B, C) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 7 | U, V, W (A, B, C) | water | water | 18.0 | 827 | Chemie (HOH) |
Sequence modifications
A, B, C: 1021 - 1553 (UniProt: Q9UK77)
| PDB | External Database | Details |
|---|---|---|
| - | Gln 362 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 176016.7 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1026.9 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 2483.1 | |
| All* | Total formula weight | 179526.7 |
