4DRQ
Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)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 (A) | Peptidyl-prolyl cis-trans isomerase FKBP5 | polymer | 128 | 14026.1 | 1 | UniProt (Q13451) Pfam (PF00254) | 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 | B (A) | {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | non-polymer | 666.6 | 1 | Chemie (0OS) | |||
| 3 | C (A) | water | water | 18.0 | 199 | 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 | conflict |
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 | 666.6 | |
| All* | Total formula weight | 14692.6 |
