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 Lck
ID:	LCK_HUMAN
AC:	P06239
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:	28.759
Number of residues:	34
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.883	411.750

% Hydrophobic	% Polar
53.28	46.72
According to VolSite

HET Code:	KZM
Formula:	C26H31N8O4
Molecular weight:	519.576 g/mol
DrugBank ID:	-
Buried Surface Area:	53.5 %
Polar Surface area:	176.55 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	5
Rings:	5
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
25.9802	35.4205	7.96774

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