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MolNFT v1 · #183240 · protein

14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-133

7NJ9: “14-3-3 sigma with RELA/P65 binding site PS45 and covalently bound TCF521-133”. X-ray diffraction, 1 ligand (UGE). MolNFT v1 #183240 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7NJ9
Type
protein
Length
236 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P31947, Q04206
Ligands
UGE

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein227—P31947
P—protein9—Q04206

Ligands and binding sites

  • UGE · 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde · ligand · chains A, P
  • 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

  • 7NJ9 · 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-133 · 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 0.96
  • Q04206 · AlphaFold monomer V2.0 prediction for transcription factor P65 (Q04206) · a predicted model of the same protein · chain P against A, TM-score 0.49

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