MolNFT v1 · #126917 · protein

Crystal structure of 14-3-3SIGMA and a P53 C-terminal 12-mer synthetic phosphopeptide

5MHC · 14-3-3 protein sigma: “Crystal structure of 14-3-3SIGMA and a P53 C-terminal 12-mer synthetic phosphopeptide”. X-ray diffraction, 2 ligands (CA, MG), 2 pockets (best druggability 0.36). MolNFT v1 #126917 on GenesisL1: 3D structure…

PDB: 5MHC
Type: protein
Length: 247 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 14-3-3 protein sigma; Lys-leu-met-phe-lys-tpo-glu-gly-pro-asp-ser-asp
UniProt: P31947
Ligands: CA, MG
Pockets: 2 · best druggability 0.36

Structure

x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	14-3-3 protein sigma	protein	235	80% helix, 0% strand	P31947
P	Lys-leu-met-phe-lys-tpo-glu-gly-pro-asp-ser-asp	protein	12	0% helix, 0% strand	—

Ligands and binding sites

CA · Calcium ion · metal · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	60	0.36	0.78	16	empty
2	60	0.33	0.76	14	empty

Interfaces

1 interface between chains.

A–P · 772 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

5MHC · Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic 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 0.95

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 5MHC · PDBe 5MHC · UniProt P31947

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