MolNFT v1 · #129222 · protein

Crystal structure of HSP90-alpha N-domain in complex with indazole derivative

5ODX · Heat shock protein HSP 90-alpha: “Crystal structure of HSP90-alpha N-domain in complex with indazole derivative”. X-ray diffraction, 1 ligand (9RZ), 1 pocket (best druggability 0.72). MolNFT v1 #129222 on GenesisL1: 3D structure…

PDB: 5ODX
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: P07900
Ligands: 9RZ
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	P07900

Ligands and binding sites

9RZ · 3-[(3~{S})-3-methoxypiperidin-1-yl]carbonyl-~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide · ligand · chains A
DMS · Dimethyl sulfoxide · additive · 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	361	0.72	0.83	37	9RZ

Compared structures

5ODX · Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative · 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 5ODX · PDBe 5ODX · UniProt P07900

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