MolNFT v1 · #126146 · protein
Human 14-3-3 sigma complexed with long HSPB6 phosphopeptide
5LU2 · 14-3-3 protein sigma: “Human 14-3-3 sigma complexed with long HSPB6 phosphopeptide”. X-ray diffraction, 3 pockets (best druggability 0.55). MolNFT v1 #126146 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5LU2
- Type
- protein
- Length
- 473 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma; Heat shock protein beta-6
- UniProt
- P31947, O14558
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 3 distinct chains · 83% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 230 | 83% helix, 0% strand | P31947 |
| B | 14-3-3 protein sigma | protein | 227 | 85% helix, 0% strand | P31947 |
| C, D | Heat shock protein beta-6 | protein | 8 | 0% helix, 0% strand | O14558 |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 318 | 0.55 | 0.75 | 22 | empty |
| 2 | 136 | 0.54 | 0.81 | 22 | empty |
| 3 | 112 | 0.51 | 0.81 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1099 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 630 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 628 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 5LU2 · Human 14-3-3 sigma complexed with long HSPB6 phosphopeptide · the same entry in another collection · chain A against A, TM-score 1.00
- P31947 · AlphaFold monomer V2.0 prediction for 14-3-3 protein sigma (P31947) · a predicted model of the same protein · chain A against A, TM-score 0.99
- O14558 · AlphaFold monomer V2.0 prediction for heat shock protein beta-6 (O14558) · a predicted model of the same protein · chain C against A, TM-score 0.44
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 P31947
- Every structure of UniProt O14558
- Elsewhere: RCSB PDB 5LU2 · PDBe 5LU2 · UniProt P31947 · UniProt O14558
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