4JVN
Crystal structure of human estrogen sulfotransferase (SULT1E1) in complex with inactive cofactor PAP and metabolite of brominated flame retardant 3OH BDE47 (3-hydroxyl bromodiphenyl ether)
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) | Estrogen sulfotransferase | polymer | 294 | 35206.4 | 2 | UniProt (P49888) Pfam (PF00685) | Homo sapiens (human) | EST-1, Sulfotransferase 1E1, ST1E1, Sulfotransferase, estrogen-preferring |
| 2 | C, F (A, B) | 2,6-dibromo-3-(2,4-dibromophenoxy)phenol | non-polymer | 501.8 | 2 | Chemie (YUG) | |||
| 3 | D, G (A, B) | ADENOSINE-3'-5'-DIPHOSPHATE | non-polymer | 427.2 | 2 | Chemie (A3P) | |||
| 4 | E, I (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 5 | H, J (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 449 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 294 (UniProt: P49888)
| PDB | External Database | Details |
|---|---|---|
| Glu 269 | Val 269 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 70412.7 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2028.1 | |
| All* | Total formula weight | 72440.8 |
