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:	tRNA (adenine(9)-N1)-methyltransferase
ID:	TRM10_SULAC
AC:	Q4J894
Organism:	Sulfolobus acidocaldarius
Reign:	Archaea
TaxID:	330779
EC Number:	2.1.1.218

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Chains:

Chain Name:	Percentage of Residues within binding site
A	95 %
B	5 %

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Ligand binding site composition:

B-Factor:	55.831
Number of residues:	22
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.492	276.750

% Hydrophobic	% Polar
51.22	48.78
According to VolSite

HET Code:	SAH
Formula:	C14H20N6O5S
Molecular weight:	384.411 g/mol
DrugBank ID:	DB01752
Buried Surface Area:	53.8 %
Polar Surface area:	212.38 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	7

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Mass center Coordinates

X	Y	Z
46.0054	15.0978	36.3417

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