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 B-A
ID:	AUKBA_XENLA
AC:	Q6DE08
Organism:	Xenopus laevis
Reign:	Eukaryota
TaxID:	8355
EC Number:	2.7.11.1

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Chains:

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

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Ligand binding site composition:

B-Factor:	58.881
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.948	462.375

% Hydrophobic	% Polar
56.20	43.80
According to VolSite

HET Code:	A0P
Formula:	C10H13N6O12P3
Molecular weight:	502.164 g/mol
DrugBank ID:	DB04395
Buried Surface Area:	50.19 %
Polar Surface area:	322.68 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
22.6549	13.999	22.0862

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