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MolNFT v1 · #184035 · protein

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

7OBC · 14-3-3 protein sigma: “Crystal structure of 14-3-3 sigma in complex with phosphorylated and farnesylated RND3 peptide”. X-ray diffraction, 3 ligands (FAR, MG, CL), 2 pockets (best druggability 0.53). MolNFT v1 #184035 on GenesisL1…

PDB
7OBC
Type
protein
Length
243 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
FAR, MG, CL
Pockets
2 · best druggability 0.53

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A14-3-3 protein sigmaprotein23680% helix, 0% strandP31947
BRho-related GTP-binding protein rhoeprotein70% helix, 0% strandP61587

Ligands and binding sites

  • FAR · Farnesyl · ligand · chains A, B
  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11430.530.8020FAR
2560.280.7412empty

Interfaces

1 interface between chains.

  • A–B · 541 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 7OBC · 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 0.60

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