MolNFT v1 · #24541 · protein

Human HSP90-alpha with 9-butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6- ylamine

1UYC · Heat shock protein HSP 90-alpha: “Human HSP90-alpha with 9-butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6- ylamine”. X-ray diffraction, 1 ligand (PU7), 1 pocket (best druggability 0.67). MolNFT v1 #24541 on GenesisL1: 3D structure…

PDB: 1UYC
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: PU7
Pockets: 1 · best druggability 0.67

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	P07900

Ligands and binding sites

PU7 · 9-butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6-ylamine · 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	306	0.67	0.82	36	PU7

Compared structures

1UYC · Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6-ylamine · 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 1UYC · PDBe 1UYC · UniProt P07900

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