MolNFT v1 · #145793 · protein

HSP90-alpha N-domain bound to neaca

6CYH · Heat shock protein HSP 90-alpha: “HSP90-alpha N-domain bound to neaca”. X-ray diffraction, 2 ligands (N5A, MG), 4 pockets (best druggability 0.62). MolNFT v1 #145793 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6CYH
Type: protein
Length: 420 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein HSP 90-alpha
UniProt: P07900
Ligands: N5A, MG
Pockets: 4 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Heat shock protein HSP 90-alpha	protein	210	42% helix, 22% strand	P07900

Ligands and binding sites

N5A · 5'-N-[(2-amino)ethyl carboxamido] adenosine · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	169	0.62	0.84	27	empty
2	272	0.61	0.80	32	N5A, MG
3	320	0.56	0.76	33	empty
4	94	0.33	0.73	18	empty

Interfaces

1 interface between chains.

A–B · 373 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

6CYH · Hsp90-alpha N-domain bound to NEACA · 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 6CYH · PDBe 6CYH · UniProt P07900

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