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MolNFT v1 · #183480 · protein

14-3-3 sigma with PIN1 binding site PS72 and covalently bound LVD1002F1

7NRK: “14-3-3 sigma with PIN1 binding site PS72 and covalently bound LVD1002F1”. X-ray diffraction, 3 ligands (UPQ, CA, CL). MolNFT v1 #183480 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7NRK
Type
protein
Length
234 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P31947, Q13526
Ligands
UPQ, CA, CL

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein228—P31947
P—protein6—Q13526

Ligands and binding sites

  • UPQ · 4-(4-methylimidazol-1-yl)benzaldehyde · ligand · chains A, P
  • CA · Calcium ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A

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

Compared structures

  • 7NRK · 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1 · 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

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