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MolNFT v1 · #183642 · protein

14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-182

7NXW: “14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-182”. X-ray diffraction, 3 ligands (UVZ, MG, CL). MolNFT v1 #183642 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7NXW
Type
protein
Length
234 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P31947, Q04206
Ligands
UVZ, MG, CL

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein225—P31947
P—protein9—Q04206

Ligands and binding sites

  • UVZ · 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl) sulfonyl]benzaldehyde · ligand · chains A, P
  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A, P

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

Compared structures

  • 7NXW · 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-182 · 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 0.97

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