8CHI
Human FKBP12 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-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 | Peptidyl-prolyl cis-trans isomerase FKBP1A | polymer | 107 | 11832.5 | 2 | UniProt (P62942) Pfam (PF00254) In PDB | 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 | A, B | (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | non-polymer | 493.4 | 2 | Chemie (UMR) | |||
| 3 | B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | water | water | 18.0 | 253 | 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 | 3 |
| Total formula weight | 1065.0 | |
| All* | Total formula weight | 24730.0 |
