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MolNFT v1 · #170445 · protein

Engineered conjugation of lysine-specific molecular tweezers with exos derived peptidic inhibitor enhance affinity towards target protein 14-3-3 through ditopic binding

6Y7T: “Engineered conjugation of lysine-specific molecular tweezers with exos derived peptidic inhibitor enhance…”. X-ray diffraction, 2 ligands (TWZ, NA). MolNFT v1 #170445 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6Y7T
Type
protein
Length
943 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P31947, Q51451
Ligands
TWZ, NA

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, F—protein230—P31947
D—protein10—Q51451
E—protein11—Q51451
K, P—protein231—P31947

Ligands and binding sites

  • TWZ · ExoSTWZ molecular tweezer · ligand · 2 copies · chains A, D, F, E
  • NA · Sodium ion · metal · 5 copies · chains A, F, P, K
  • GOL · Glycerol · additive · 2 copies · chains A, P

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

Compared structures

  • 6Y7T · Engineered conjugation of lysine-specific molecular tweezers with ExoS derived peptidic… · the same entry in another collection · chain P against P, 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 K against A, TM-score 0.96

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