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:	Pyrrolysine--tRNA ligase
ID:	PYLS_METMA
AC:	Q8PWY1
Organism:	Methanosarcina mazei
Reign:	Archaea
TaxID:	192952
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:	40.477
Number of residues:	34
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:	ATP
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
1.161	462.375

% Hydrophobic	% Polar
63.50	36.50
According to VolSite

HET Code:	CCL
Formula:	C12H22N2O4
Molecular weight:	258.314 g/mol
DrugBank ID:	-
Buried Surface Area:	69.99 %
Polar Surface area:	106.1 Å2

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

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Mass center Coordinates

X	Y	Z
7.59039	46.9479	32.7607

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