4JFL
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Peptidyl-prolyl cis-trans isomerase FKBP5 | polymer | 128 | 14026.1 | 1 | UniProt (Q13451) Pfam (PF00254) In PDB | Homo sapiens (human) | PPIase FKBP5, 51 kDa FK506-binding protein, 51 kDa FKBP, FKBP-51, 54 kDa progesterone receptor-associated immunophilin, Androgen-regulated protein 6, FF1 antigen, FK506-binding protein 5, FKBP-5, FKBP54, p54, HSP90-binding immunophilin, Rotamase |
| 2 | A | 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one | non-polymer | 533.6 | 1 | Chemie (1KY) | |||
| 3 | water | water | 18.0 | 235 | Chemie (HOH) |
Sequence modifications
A: 16 - 140 (UniProt: Q13451)
| PDB | External Database | Details |
|---|---|---|
| Gly 13 | - | expression tag |
| Ala 14 | - | expression tag |
| Pro 15 | - | expression tag |
| Thr 19 | Ala 19 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 14026.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 533.6 | |
| All* | Total formula weight | 14559.7 |
