8CHM
Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfinyl)-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 (A) | Peptidyl-prolyl cis-trans isomerase FKBP1A | polymer | 107 | 11832.5 | 1 | 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 | B (A) | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | non-polymer | 464.4 | 1 | Chemie (UT6) | |||
| 3 | C (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | D, E (A) | CADMIUM ION | non-polymer | 112.4 | 2 | Chemie (CD) | |||
| 5 | F, G, H, I, J... (A) | CHLORIDE ION | non-polymer | 35.5 | 6 | Chemie (CL) | |||
| 6 | L (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | M (A) | water | water | 18.0 | 214 | Chemie (HOH) |
Sequence modifications
A: 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 | 1 |
| Total formula weight | 11832.5 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1076.1 | |
| All* | Total formula weight | 12908.6 |
