MolNFT v1 · #175801 · protein

HSP90 alpha N-terminal domain in complex with a 4B compund

7D24 · Heat shock protein HSP 90-alpha: “HSP90 alpha N-terminal domain in complex with a 4B compund”. X-ray diffraction, 1 ligand (GQ3), 1 pocket (best druggability 0.72). MolNFT v1 #175801 on GenesisL1: 3D structure, binding sites and…

PDB: 7D24
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
UniProt: P07901
Ligands: GQ3
Pockets: 1 · best druggability 0.72

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	protein	209	44% helix, 23% strand	P07901

Ligands and binding sites

GQ3 · 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-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	340	0.72	0.84	36	GQ3

Compared structures

7D24 · Hsp90 alpha N-terminal domain in complex with a 4B compund · the same entry in another collection · chain A against A, TM-score 1.00
P07901 · AlphaFold monomer V2.0 prediction for heat shock protein HSP 90-alpha (P07901) · 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 P07901
Elsewhere: RCSB PDB 7D24 · PDBe 7D24 · UniProt P07901

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