8CCB
The Fk1 domain of FKBP51 in complex with 2-(3-((1R)-1-(((2S)-1-(2-(5-chlorothiophen-2-yl)-2-cyclohexylacetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)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 | 14004.0 | 1 | UniProt (Q13451) Pfam (PF00254) | Homo sapiens (human) | PPIase FKBP5,51 kDa FK506-binding protein,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) | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-cyclohexyl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | non-polymer | 698.3 | 1 | Chemie (U83) | |||
| 3 | C (A) | water | water | 18.0 | 129 | 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 |
| Ala 103 | Cys 103 | engineered mutation |
| Ile 107 | Cys 107 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 14004.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 698.3 | |
| All* | Total formula weight | 14702.3 |
