MolNFT v1 · #119148 · protein

Dynamic undocking and the quasi-bound state as tools for drug design

5FND · Heat shock protein, HSP90-alpha: “Dynamic undocking and the quasi-bound state as tools for drug design”. X-ray diffraction, 2 ligands (IQ5, SO4), 1 pocket (best druggability 0.60). MolNFT v1 #119148 on GenesisL1: 3D structure…

PDB: 5FND
Type: protein
Length: 208 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein, HSP90-alpha
UniProt: P07900
Ligands: IQ5, SO4
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein, HSP90-alpha	protein	208	42% helix, 23% strand	P07900

Ligands and binding sites

IQ5 · N-(2-azanyl-6-methyl-1,3-benzothiazol-5-yl)ethanamide · ligand · chains A
SO4 · Sulfate ion · ion · 2 copies · 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	184	0.60	0.82	26	IQ5

Compared structures

5FND · Dynamic Undocking and the Quasi-Bound State as tools for Drug Design · 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 5FND · PDBe 5FND · UniProt P07900

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