Research workbench
14-3-3 sigma in complex with FOXO1 PT24 peptide
Analyse 14-3-3 sigma in complex with FOXO1 PT24 peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6QZR
- Type
- protein
- Length
- 1,883 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma; Forkhead box protein O1
- UniProt
- P31947, Q12778
- Pockets
- 20 · best druggability 0.62
Structure
x-ray diffraction · 9 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 223 | 78% helix, 0% strand | P31947 |
| B, E | 14-3-3 protein sigma | protein | 229 | 80% helix, 0% strand | P31947 |
| C | 14-3-3 protein sigma | protein | 230 | 79% helix, 0% strand | P31947 |
| D | 14-3-3 protein sigma | protein | 219 | 78% helix, 0% strand | P31947 |
| F, H | 14-3-3 protein sigma | protein | 231 | 79% helix, 0% strand | P31947 |
| G | 14-3-3 protein sigma | protein | 226 | 77% helix, 0% strand | P31947 |
| R, J, M, O, T | Forkhead box protein O1 | protein | 8 | 0% helix, 0% strand | Q12778 |
| N, U | Forkhead box protein O1 | protein | 9 | 0% helix, 0% strand | Q12778 |
| P | Forkhead box protein O1 | protein | 7 | 0% helix, 0% strand | Q12778 |
Ligands and binding sites
- GOL · Glycerol · additive · 7 copies · chains A, D, H, G
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · 4 copies · chains A, C, B, D, F, G, E, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 543 | 0.62 | 0.75 | 36 | B3P |
| 2 | 493 | 0.60 | 0.74 | 39 | B3P |
| 3 | 452 | 0.59 | 0.75 | 31 | B3P |
| 4 | 208 | 0.58 | 0.80 | 42 | empty |
| 5 | 406 | 0.57 | 0.75 | 41 | empty |
Interfaces
15 interfaces between chains.
- H–U · 695 Ų buried · 16 hydrogen bonds · protein-protein
- A–N · 600 Ų buried · 13 hydrogen bonds · protein-protein
- C–O · 584 Ų buried · 15 hydrogen bonds · protein-protein
- G–T · 581 Ų buried · 14 hydrogen bonds · protein-protein
- E–J · 579 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (oxidation, phosphorylation).
Compared structures
- 6QZR · 14-3-3 sigma in complex with FOXO1 pT24 peptide · the same entry in another collection · chain J against J, TM-score 1.00
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 Q12778
- Elsewhere: RCSB PDB 6QZR · PDBe 6QZR · UniProt P31947 · UniProt Q12778
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