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Cryogenic human HSP90A-ntd bound to EC144

Analyse Cryogenic human HSP90A-ntd bound to EC144 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7S9H
Type
protein
Length
209 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock protein HSP 90-alpha
EC
3.6.4.10
UniProt
P07900
Ligands
7PP, MG
Pockets
1 · best druggability 0.69

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock protein HSP 90-alpha (EC 3.6.4.10)protein20945% helix, 22% strandP07900

Ligands and binding sites

  • 7PP · 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol · 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
13330.690.83387PP, MG

Compared structures

  • 7S9H · Cryogenic Human Hsp90a-NTD bound to EC144 · the same entry in another collection · chain A against A, TM-score 1.00
  • P07900 · AlphaFold monomer V2.0 prediction for heat shock protein HSP 90-alpha (P07900) · a predicted model of the same protein · chain A against A, TM-score 0.82

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