Research workbench
Atomic structures of the rapamycin analogs in complex with both human FKBP12 and frb domain of frap
Analyse Atomic structures of the rapamycin analogs in complex with both human FKBP12… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FAP
- Type
- protein
- Length
- 201 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FK506-binding protein; FKBP12-rapamycin associated protein
- EC
- 5.2.1.8
- UniProt
- P62942, P42345
- Ligands
- ARD
- Pockets
- 1 · best druggability 0.76
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 | 14% helix, 40% strand | P62942 |
| B | FKBP12-rapamycin associated protein | protein | 94 | 84% helix, 0% strand | P42345 |
Ligands and binding sites
- ARD · C15-(R)-methylthienyl rapamycin · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 722 | 0.76 | 0.80 | 40 | ARD |
Interfaces
1 interface between chains.
- A–B · 418 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4FAP · Atomic structures of the rapamycin analogs in complex with both human FKBP12 and frb… · the same entry in another collection · chain B against B, 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 4FAP · PDBe 4FAP · UniProt P62942 · UniProt P42345
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