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MolNFT v1 · #184036 · protein

Crystal structure of 14-3-3 sigma in complex with phosphorylated and farnesylated RND3 peptide and stabilizer fusicoccin-a

7OBD · 14-3-3 protein sigma: “Crystal structure of 14-3-3 sigma in complex with phosphorylated and farnesylated RND3 peptide and stabilizer…”. X-ray diffraction, 4 ligands (FSC, FAR, MG), 1 pocket (best druggability 0.54). MolNFT v1…

PDB
7OBD
Type
protein
Length
242 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
14-3-3 protein sigma; Rho-related GTP-binding protein rhoe
UniProt
P31947, P61587
Ligands
FSC, FAR, MG, CL
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A14-3-3 protein sigmaprotein23678% helix, 0% strandP31947
BRho-related GTP-binding protein rhoeprotein60% helix, 0% strandP61587

Ligands and binding sites

  • FSC · Fusicoccin · ligand · chains A, B
  • FAR · Farnesyl · 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
11480.540.8120FSC

Interfaces

1 interface between chains.

  • A–B · 513 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified, 1 lipid (farnesylation, oxidation, phosphorylation).

Compared structures

  • 7OBD · Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3… · 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
  • P61587 · AlphaFold monomer V2.0 prediction for rho-related GTP-binding protein rhoe (P61587) · a predicted model of the same protein · chain B against A, TM-score 0.64

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