8BAJ
Structure of the FK1 domain of the FKBP51 G64S variant in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-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 | 14034.1 | 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 | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | non-polymer | 484.4 | 1 | Chemie (9QN) | |||
| 3 | water | water | 18.0 | 156 | Chemie (HOH) |
Sequence modifications
A: 6 - 130 (UniProt: Q13451)
| PDB | External Database | Details |
|---|---|---|
| Gly 3 | - | expression tag |
| Ala 4 | - | expression tag |
| Pro 5 | - | expression tag |
| Thr 9 | Ala 19 | engineered mutation |
| Ser 54 | Gly 64 | engineered mutation |
| Ala 93 | Cys 103 | engineered mutation |
| Ile 97 | Cys 107 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 14034.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 484.4 | |
| All* | Total formula weight | 14518.4 |
