MolNFT v1 · #86472 · protein

Structure of HSP90 with nms-E973 inhibitor bound

4B7P · Heat shock protein HSP 90-alpha: “Structure of HSP90 with nms-E973 inhibitor bound”. X-ray diffraction, 1 ligand (9UN), 1 pocket (best druggability 0.60). MolNFT v1 #86472 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4B7P
Type: protein
Length: 214 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: 9UN
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein HSP 90-alpha	protein	214	43% helix, 22% strand	P07900

Ligands and binding sites

9UN · 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide · 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	239	0.60	0.80	25	9UN

Compared structures

4B7P · Structure of HSP90 with NMS-E973 inhibitor bound · 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 4B7P · PDBe 4B7P · UniProt P07900

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