MolNFT v1 · #178038 · protein
Crystal structure of ATFKBP53 fkbd in complex with rapamycin
7F2J · Peptidyl-prolyl cis-trans isomerase FKBP53: “Crystal structure of ATFKBP53 fkbd in complex with rapamycin”. X-ray diffraction, 2 ligands (RAP, SO4), 1 pocket (best druggability 0.65). MolNFT v1 #178038 on GenesisL1: 3D structure…
- PDB
- 7F2J
- Type
- protein
- Length
- 233 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase FKBP53
- EC
- 5.2.1.8
- UniProt
- Q93ZG9
- Ligands
- RAP, SO4
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase FKBP53 (EC 5.2.1.8) | protein | 117 | 9% helix, 41% strand | Q93ZG9 |
| B | Peptidyl-prolyl cis-trans isomerase FKBP53 (EC 5.2.1.8) | protein | 116 | 9% helix, 41% strand | Q93ZG9 |
Ligands and binding sites
- RAP · Rapamycin immunosuppressant drug · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains 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 | 538 | 0.65 | 0.75 | 37 | RAP |
Interfaces
1 interface between chains.
- A–B · 267 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7F2J · Crystal structure of AtFKBP53 FKBD in complex with rapamycin · the same entry in another collection · chain A against A, TM-score 1.00
- Q93ZG9 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP53 (Q93ZG9) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q93ZG9
- Elsewhere: RCSB PDB 7F2J · PDBe 7F2J · UniProt Q93ZG9
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