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:	Tyrosine-protein kinase JAK3
ID:	JAK3_HUMAN
AC:	P52333
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.10.2

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Chains:

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

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Ligand binding site composition:

B-Factor:	43.722
Number of residues:	35
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.230	1231.875

% Hydrophobic	% Polar
44.11	55.89
According to VolSite

HET Code:	VFC
Formula:	C22H19FN8O2
Molecular weight:	446.437 g/mol
DrugBank ID:	-
Buried Surface Area:	66.94 %
Polar Surface area:	132.59 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	2
Rings:	5
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
-9.99248	1.26218	7.35176

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