4DRK
EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Peptidyl-prolyl cis-trans isomerase FKBP5 | polymer | 128 | 14026.1 | 2 | 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, B | {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | non-polymer | 583.7 | 2 | Chemie (I63) | |||
| 3 | water | water | 18.0 | 397 | Chemie (HOH) |
Sequence modifications
A, B: 16 - 140 (UniProt: Q13451)
| PDB | External Database | Details |
|---|---|---|
| Gly 13 | - | expression tag |
| Ala 14 | - | expression tag |
| Pro 15 | - | expression tag |
| Thr 19 | Ala 19 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 28052.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1167.3 | |
| All* | Total formula weight | 29219.5 |
