MolNFT v1 · #128218 · protein
Human FKBP51 protein in complex with C-terminal peptide of human HSP 90-alpha
5NJX · Peptidyl-prolyl cis-trans isomerase FKBP5: “Human FKBP51 protein in complex with C-terminal peptide of human HSP 90-alpha”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.36). MolNFT v1 #128218 on GenesisL1: 3D…
- PDB
- 5NJX
- Type
- protein
- Length
- 422 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase FKBP5; HSP90AA1 protein
- EC
- 5.2.1.8
- UniProt
- Q13451, Q96HX7
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.36
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase FKBP5 (EC 5.2.1.8) | protein | 413 | 42% helix, 23% strand | Q13451 |
| B | HSP90AA1 protein | protein | 9 | 44% helix, 0% strand | Q96HX7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.36 | 0.73 | 20 | empty |
| 2 | 72 | 0.35 | 0.76 | 17 | empty |
| 3 | 95 | 0.34 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 554 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5NJX · Human FKBP51 protein in complex with C-terminal peptide of Human HSP 90-alpha · the same entry in another collection · chain A against A, TM-score 1.00
- 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 0.99
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
- Every structure of UniProt Q96HX7
- Elsewhere: RCSB PDB 5NJX · PDBe 5NJX · UniProt Q13451 · UniProt Q96HX7
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