sc-PDB

List of CHEMBLId :

This value allows a number of roughly comparable measures of half-maximal response concentration/potency/affinity to be compared on a negative logarithmic scale (e.g., an IC50 measurement of 1nM would have a pChEMBL value of 9).

Uniprot Annotation

Name:	Heat shock protein HSP 90-alpha
ID:	HS90A_HUMAN
AC:	P07900
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

---

Ligand binding site composition:

B-Factor:	18.690
Number of residues:	35
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.427	732.375

% Hydrophobic	% Polar
52.53	47.47
According to VolSite

HET Code:	Z64
Formula:	C18H21N7O
Molecular weight:	351.406 g/mol
DrugBank ID:	-
Buried Surface Area:	62.78 %
Polar Surface area:	99.51 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	4
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	7

---

Mass center Coordinates

X	Y	Z
3.29942	11.531	24.7802

• 2D View
• 3D View