MolNFT v1 · #128695 · protein

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

5NYI · Heat shock protein HSP 90-alpha: “Crystal structure of HSP90-alpha N-domain in complex with resorcinol derivative”. X-ray diffraction, 1 ligand (2EQ), 1 pocket (best druggability 0.61). MolNFT v1 #128695 on GenesisL1: 3D structure…

PDB: 5NYI
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: 2EQ
Pockets: 1 · best druggability 0.61

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein HSP 90-alpha	protein	209	42% helix, 23% strand	P07900

Ligands and binding sites

2EQ · 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-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	193	0.61	0.82	24	2EQ

Compared structures

5NYI · Crystal Structure of Hsp90-alpha N-Domain in complex with Resorcinol 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 5NYI · PDBe 5NYI · UniProt P07900

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