MolNFT v1 · #30194 · protein

Yeast HSP82 in complex with the novel HSP90 inhibitor 8-(6-bromo- BENZO[1,3]DIOXOL-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine

1ZW9: “Yeast HSP82 in complex with the novel HSP90 inhibitor 8-(6-bromo…”. X-ray diffraction, 1 ligand (H64), 1 pocket (best druggability 0.58). MolNFT v1 #30194 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1ZW9
Type: protein
Length: 206 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HSP82
UniProt: P02829
Ligands: H64
Pockets: 1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	HSP82	protein	206	41% helix, 23% strand	P02829

Ligands and binding sites

H64 · 8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine · 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	298	0.58	0.77	30	H64

Compared structures

1ZW9 · Yeast HSP82 in complex with the Novel HSP90 Inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
P02829 · AlphaFold monomer V2.0 prediction for ATP-dependent molecular chaperone HSP82 (P02829) · a predicted model of the same protein · chain A against A, TM-score 0.82

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 P02829
Elsewhere: RCSB PDB 1ZW9 · PDBe 1ZW9 · UniProt P02829

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.