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Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor

Analyse Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4CWQ
Type: protein
Length: 207 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2
Source: HOMO SAPIENS
Molecule: Heat shock protein HSP 90-alpha
UniProt: P07900
Ligands: W2D
Pockets: 1 · best druggability 0.67

Structure

x-ray diffraction · resolution 2 · 1 distinct chain · 46% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein HSP 90-alpha	protein	207	46% helix, 23% strand	P07900

Ligands and binding sites

W2D · 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide · 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	295	0.67	0.82	35	W2D

Compared structures

4CWQ · Human HSP90 alpha N-terminal domain in complex with an aminotriazoloquinazoline inhibitor · 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 P07900
Elsewhere: RCSB PDB 4CWQ · PDBe 4CWQ · UniProt P07900

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