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Rerefinement of chicken vinculin

Analyse Rerefinement of chicken vinculin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6NR7
Type
protein
Length
1,086 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vinculin
UniProt
P12003
Ligands
KYG, SO4, PO4
Pockets
16 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVinculinprotein108670% helix, 1% strandP12003

Ligands and binding sites

  • KYG · (1R,2R,3S,4R,5R,6S)-4-{[(S)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)] · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • PO4 · Phosphate ion · ion · 2 copies · chains A

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

Pockets

16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15800.830.8864empty
23500.700.8337empty
33720.700.8247empty
4730.640.9222empty
52060.570.8034empty

Compared structures

  • 6NR7 · Rerefinement of chicken vinculin · the same entry in another collection · chain A against A, TM-score 1.00
  • P12003 · AlphaFold monomer V2.0 prediction for vinculin (P12003) · a predicted model of the same protein · chain A against A, TM-score 0.94

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