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Structure of human heat shock protein 90-alpha N-terminal domain (HSP90-ntd) variant K112R in complex with ADP

Analyse Structure of human heat shock protein 90-alpha N-terminal domain (HSP90-ntd)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GR5
Type
protein
Length
215 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock protein HSP 90-alpha
UniProt
P07900
Ligands
ADP, MG
Pockets
1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock protein HSP 90-alphaprotein21542% helix, 22% strandP07900

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MG · Magnesium ion · metal · 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
12300.620.8227MG, ADP

Compared structures

  • 6GR5 · Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant… · the same entry in another collection · chain A against A, TM-score 1.00

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