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Crystal structure of human HSP90 with RL1

Analyse Crystal structure of human HSP90 with RL1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4L8Z
Type
protein
Length
208 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
RL1
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock protein HSP 90-alphaprotein20843% helix, 23% strandP07900

Ligands and binding sites

  • RL1 · [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone · 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
13040.700.8438RL1

Compared structures

  • 4L8Z · Crystal structure of Human Hsp90 with RL1 · the same entry in another collection · chain A against A, TM-score 1.00

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