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MolNFT v1 · #184031 · protein

Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide and stabilizer fusicoccin-a

7OB8 · 14-3-3 protein sigma: “Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide and stabilizer fusicoccin-a”. X-ray diffraction, 3 ligands (FSC, MG, CL), 1 pocket (best druggability 0.58). MolNFT v1 #184031 on…

PDB
7OB8
Type
protein
Length
239 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
14-3-3 protein sigma; LDB1 phosphopeptide
UniProt
P31947, Q86U70
Ligands
FSC, MG, CL
Pockets
1 · best druggability 0.58

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A14-3-3 protein sigmaprotein23678% helix, 0% strandP31947
BLDB1 phosphopeptideprotein30% helix, 0% strandQ86U70

Ligands and binding sites

  • FSC · Fusicoccin · ligand · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11690.580.8222FSC

Interfaces

1 interface between chains.

  • A–B · 373 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation, phosphorylation).

Compared structures

  • 7OB8 · Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide and stabilizer… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q86U70 · AlphaFold monomer V2.0 prediction for lim domain-binding protein 1 (Q86U70) · a predicted model of the same protein · chain B 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

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