sc-PDB

List of CHEMBLId :

CHEMBL221959

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
A	100 %

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Ligand binding site composition:

B-Factor:	22.119
Number of residues:	34
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.469	455.625

% Hydrophobic	% Polar
42.22	57.78
According to VolSite

HET Code:	MI1
Formula:	C16H20N6O
Molecular weight:	312.370 g/mol
DrugBank ID:	DB08895
Buried Surface Area:	81.75 %
Polar Surface area:	88.91 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
0.835783	15.1067	4.94374

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