MolNFT v1 · #162132 · protein

14-3-3 sigma in complex with FOXO1 PS256 peptide

6QZS · 14-3-3 protein sigma: “14-3-3 sigma in complex with FOXO1 PS256 peptide”. X-ray diffraction, 4 pockets (best druggability 0.61). MolNFT v1 #162132 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6QZS
Type: protein
Length: 477 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 14-3-3 protein sigma; FOXO1 PS256 site
UniProt: P31947
Pockets: 4 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 76% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	14-3-3 protein sigma	protein	231	81% helix, 0% strand	P31947
P	FOXO1 PS256 site	protein	7	0% helix, 0% strand	—
C	FOXO1 PS256 site	protein	8	0% helix, 0% strand	—

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains A
B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	493	0.61	0.75	34	B3P
2	141	0.60	0.84	27	empty
3	156	0.55	0.81	24	empty
4	50	0.30	0.76	14	empty

Interfaces

3 interfaces between chains.

B–C · 682 Å² buried · 13 hydrogen bonds · protein-protein
A–P · 552 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 254 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (oxidation, phosphorylation).

Compared structures

6QZS · 14-3-3 sigma in complex with FOXO1 pS256 peptide · 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 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 P31947
Elsewhere: RCSB PDB 6QZS · PDBe 6QZS · UniProt P31947

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