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Structure of tellurium-centred anderson-evans polyoxotungstate (tew) bound to the nucleotide binding domain of HSP70. second structure of two tew-HSP70 structures deposited.

Analyse Structure of tellurium-centred anderson-evans polyoxotungstate (tew) bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6G3S
Type
protein
Length
379 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock 70 kda protein 1A
UniProt
P0DMV8
Ligands
TEW, ADP, NA, MG, PO4
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock 70 kda protein 1Aprotein37941% helix, 29% strandP0DMV8

Ligands and binding sites

  • TEW · 6-tungstotellurate(VI) · ligand · 2 copies · chains A
  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • NA · Sodium ion · metal · 3 copies · chains A
  • MG · Magnesium ion · metal · chains A
  • PO4 · Phosphate ion · ion · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16720.750.8167ADP, MG, PO4, NA

Compared structures

  • 6G3S · Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0DMV8 · AlphaFold monomer V2.0 prediction for heat shock 70 kda protein 1A (P0DMV8) · a predicted model of the same protein · chain A against A, TM-score 0.91

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