8CHJ
Human FKBP12 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-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, B, C, D (A, B, C, D) | Peptidyl-prolyl cis-trans isomerase FKBP1A | polymer | 107 | 11832.5 | 4 | UniProt (P62942) Pfam (PF00254) | Homo sapiens (human) | PPIase FKBP1A,12 kDa FK506-binding protein,12 kDa FKBP,FKBP-12,Calstabin-1,FK506-binding protein 1A,FKBP-1A,Immunophilin FKBP12,Rotamase |
| 2 | E, G, H, J (A, B, C, D) | (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | non-polymer | 479.4 | 4 | Chemie (UQI) | |||
| 3 | F (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | I (C) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | K, L, M, N (A, B, C, D) | water | water | 18.0 | 357 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 107 (UniProt: P62942)
| PDB | External Database | Details |
|---|---|---|
| Val 22 | Cys 23 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 47330.0 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2087.9 | |
| All* | Total formula weight | 49417.9 |
