8CHL
Human FKBP12 in complex with (1S,5S,6R)-9-((3,5-dichlorophenyl)sulfonyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,9-diazabicyclo[4.2.1]nonan-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 (A, B) | Peptidyl-prolyl cis-trans isomerase FKBP1A | polymer | 107 | 11832.5 | 2 | 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 | C, N (A, B) | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | non-polymer | 480.4 | 2 | Chemie (USV) | |||
| 3 | D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | E, F, G, O (A, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 5 | H, I, J, K, P... (A, B) | CADMIUM ION | non-polymer | 112.4 | 7 | Chemie (CD) | |||
| 6 | L, M, S (A, B) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 7 | T, U (A, B) | water | water | 18.0 | 200 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 23665.0 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 2482.4 | |
| All* | Total formula weight | 26147.4 |
