MolNFT v1 · #143767 · protein

HSP90-alpha N-domain bound to npca

6B9A · Heat shock protein HSP 90-alpha: “HSP90-alpha N-domain bound to npca”. X-ray diffraction, 1 ligand (PA7), 3 pockets (best druggability 0.62). MolNFT v1 #143767 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6B9A
Type: protein
Length: 419 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: PA7
Pockets: 3 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Heat shock protein HSP 90-alpha	protein	209	44% helix, 22% strand	P07900
A	Heat shock protein HSP 90-alpha	protein	210	42% helix, 22% strand	P07900

Ligands and binding sites

PA7 · N-propyl carboxyamido adenosine · ligand · chains A

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	240	0.62	0.81	32	PA7
2	173	0.62	0.84	23	empty
3	404	0.59	0.76	48	empty

Interfaces

1 interface between chains.

B–A · 383 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

6B9A · Hsp90-alpha N-domain bound to NPCA · the same entry in another collection · chain B against B, 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 6B9A · PDBe 6B9A · UniProt P07900

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