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:	Aurora kinase A
ID:	AURKA_HUMAN
AC:	O14965
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.1

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	41.002
Number of residues:	33
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.546	516.375

% Hydrophobic	% Polar
50.98	49.02
According to VolSite

HET Code:	MPY
Formula:	C28H33N7O2
Molecular weight:	499.607 g/mol
DrugBank ID:	-
Buried Surface Area:	48.15 %
Polar Surface area:	97.47 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	5
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	2
Rule of Five Violation:	0
Rotatable Bonds:	5

---

Mass center Coordinates

X	Y	Z
-59.9532	53.0324	11.6884

• 2D View
• 3D View