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:	Kinase
ID:	N9UNA8_ENTHI
AC:	N9UNA8
Organism:	Entamoeba histolytica HM-1:IMSS-A
Reign:	Eukaryota
TaxID:	885318
EC Number:	/

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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:	31.185
Number of residues:	31
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	3
Water Molecules:	2
Cofactors:
Metals:	MG MG

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Cavity properties

Ligandability	Volume (Å3)
0.508	283.500

% Hydrophobic	% Polar
61.90	38.10
According to VolSite

HET Code:	ATP
Formula:	C10H12N5O13P3
Molecular weight:	503.149 g/mol
DrugBank ID:	DB00171
Buried Surface Area:	44.33 %
Polar Surface area:	319.88 Å2

Number of
H-Bond Acceptors:	17
H-Bond Donors:	3
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
31.8504	-2.31606	19.3081

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