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:	Nucleoside diphosphate kinase A 2
ID:	NDKA2_BOVIN
AC:	P52175
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	2.7.4.6

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Chains:

Chain Name:	Percentage of Residues within binding site
A	96 %
B	4 %

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Ligand binding site composition:

B-Factor:	44.111
Number of residues:	24
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.061	600.750

% Hydrophobic	% Polar
42.70	57.30
According to VolSite

HET Code:	PCG
Formula:	C10H11N5O7P
Molecular weight:	344.197 g/mol
DrugBank ID:	-
Buried Surface Area:	49.98 %
Polar Surface area:	183.16 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	3
Rings:	4
Aromatic rings:	1
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	1

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Mass center Coordinates

X	Y	Z
45.559	53.7784	15.4668

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