MolNFT v1 · #38660 · protein

Structure of human HSP90-alpha bound to the potent water soluble inhibitor pu-DZ8

2H55 · Heat shock protein HSP 90-alpha 4: “Structure of human HSP90-alpha bound to the potent water soluble inhibitor pu-DZ8”. X-ray diffraction, 1 ligand (DZ8), 1 pocket (best druggability 0.68). MolNFT v1 #38660 on GenesisL1: 3D…

PDB: 2H55
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 4
UniProt: Q5CAQ6
Ligands: DZ8
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein HSP 90-alpha 4	protein	209	44% helix, 23% strand	Q5CAQ6

Ligands and binding sites

DZ8 · 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	319	0.68	0.82	38	DZ8

Compared structures

2H55 · Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-DZ8 · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q5CAQ6
Elsewhere: RCSB PDB 2H55 · PDBe 2H55 · UniProt Q5CAQ6

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