Research workbench
The structure of the immunophilin-immunosuppressant FKBP12-rapamycin complex interacting with human frap
Analyse The structure of the immunophilin-immunosuppressant FKBP12-rapamycin complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NSG
- Type
- protein
- Length
- 201 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FK506-binding protein; Fkbp-rapamycin associated protein (frap)
- EC
- 5.2.1.8
- UniProt
- P62942, P42345
- Ligands
- RAD
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FK506-binding protein (EC 5.2.1.8) | protein | 107 | 13% helix, 40% strand | P62942 |
| B | Fkbp-rapamycin associated protein (frap) | protein | 94 | 86% helix, 0% strand | P42345 |
Ligands and binding sites
- RAD · C49-methyl rapamycin · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 742 | 0.75 | 0.79 | 39 | RAD |
| 2 | 55 | 0.34 | 0.78 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 335 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1NSG · The structure of the immunophilin-immunosuppressant FKBP12-rapamycin complex interacting… · the same entry in another collection · chain A against A, TM-score 1.00
- P62942 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP1A (P62942) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P42345 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase mtor (P42345) · a predicted model of the same protein · chain B against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P62942
- Every structure of UniProt P42345
- Elsewhere: RCSB PDB 1NSG · PDBe 1NSG · UniProt P62942 · UniProt P42345
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