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:	Probable threonine--tRNA ligase 2
ID:	SYT2_AERPE
AC:	Q9YFY3
Organism:	Aeropyrum pernix
Reign:	Archaea
TaxID:	272557
EC Number:	6.1.1.3

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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:	23.600
Number of residues:	26
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.950	398.250

% Hydrophobic	% Polar
57.63	42.37
According to VolSite

HET Code:	A3S
Formula:	C13H20N7O5
Molecular weight:	354.342 g/mol
DrugBank ID:	DB04024
Buried Surface Area:	72.72 %
Polar Surface area:	196.27 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	6
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	2
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
15.3835	2.16704	31.0256

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