8BA6
Structure of the FK1 domain of the FKBP51 G64S variant in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
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 | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | non-polymer | 677.8 | 1 | Chemie (S8N) | |||
| 3 | water | water | 18.0 | 221 | 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 |
| Ser 64 | Gly 64 | 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 | 14034.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 677.8 | |
| All* | Total formula weight | 14711.9 |
