MolNFT v1 · #37302 · protein

Structure of human HSP90-alpha bound to the potent water soluble inhibitor pu-H71

2FWZ · Heat shock protein HSP 90-alpha: “Structure of human HSP90-alpha bound to the potent water soluble inhibitor pu-H71”. X-ray diffraction, 1 ligand (H71), 1 pocket (best druggability 0.69). MolNFT v1 #37302 on GenesisL1: 3D structure…

PDB: 2FWZ
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
Ligands: H71
Pockets: 1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein HSP 90-alpha	protein	208	45% helix, 23% strand	—

Ligands and binding sites

H71 · 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-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	313	0.69	0.83	36	H71

Compared structures

2FWZ · Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H71 · 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
Elsewhere: RCSB PDB 2FWZ · PDBe 2FWZ

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