MolNFT v2 · #216743 · protein
FKBP51FK1 F67E/K60Orn (i, i+7) in complex with SAFit1
8PJ8 · Peptidyl-prolyl cis-trans isomerase FKBP5: “FKBP51FK1 F67E/K60Orn (i, i+7) in complex with SAFit1”. X-ray diffraction at 1.5, 1 ligand (GY1), 1 pocket (best druggability 0.46). MolNFT v2 #216743 on GenesisL1: 3D structure, binding…
- PDB
- 8PJ8
- Type
- protein
- Length
- 128 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.5
- Molecule
- Peptidyl-prolyl cis-trans isomerase FKBP5
- EC
- 5.2.1.8
- UniProt
- Q13451
- Ligands
- GY1
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · resolution 1.5 · 1 distinct chain · 16% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase FKBP5 (EC 5.2.1.8) | protein | 128 | 16% helix, 37% strand | Q13451 |
Ligands and binding sites
- GY1 · 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.46 | 0.78 | 17 | empty |
Modifications
Observed in the structure: 3 modified (nonstandard).
Compared structures
- Q13451 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP5 (Q13451) · a predicted model of the same protein · chain A 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 Q13451
- Elsewhere: RCSB PDB 8PJ8 · PDBe 8PJ8 · UniProt Q13451
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