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Hsp90-beta bound to PU-11-trans

Analyse Hsp90-beta bound to PU-11-trans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N8Y
Type
protein
Length
210 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.55391
Source
Homo sapiens
Molecule
Heat shock protein HSP 90-beta
UniProt
P08238
Ligands
KFY
Pockets
1 · best druggability 0.71

Structure

x-ray diffraction · resolution 1.55391 · 1 distinct chain · 45% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock protein HSP 90-betaprotein21045% helix, 22% strandP08238

Ligands and binding sites

  • KFY · 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl) methyl]-9H-purin-6-amine · ligand · 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
13600.710.8343KFY

Compared structures

  • 6N8Y · HSP90-beta bound to pu-11-trans · the same entry in another collection · chain A against A, TM-score 1.00
  • P08238 · AlphaFold monomer V2.0 prediction for heat shock protein HSP 90-beta (P08238) · a predicted model of the same protein · chain A against A, TM-score 0.81

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