MolNFT v1 · #145792 · protein

HSP90-alpha N-domain bound to neoca

6CYG · Heat shock protein HSP 90-alpha: “HSP90-alpha N-domain bound to neoca”. X-ray diffraction, 2 ligands (N5O, MG), 3 pockets (best druggability 0.62). MolNFT v1 #145792 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6CYG
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: N5O, MG
Pockets: 3 · 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

N5O · 5'-N-(2-hydroxyl)ethyl carboxyamido adenosine · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

3 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	175	0.62	0.84	25	empty
2	275	0.61	0.79	33	N5O
3	449	0.60	0.75	52	empty

Interfaces

1 interface between chains.

A–B · 379 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6CYG · Hsp90-alpha N-domain bound to NEOCA · 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 6CYG · PDBe 6CYG · UniProt P07900

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