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:	S-adenosylmethionine synthase
ID:	METK_SULSO
AC:	Q980S9
Organism:	Sulfolobus solfataricus
Reign:	Archaea
TaxID:	273057
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	47 %
B	53 %

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Ligand binding site composition:

B-Factor:	31.034
Number of residues:	45
Including
Standard Amino Acids:	41
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:
Metals:	MG MG

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Cavity properties

Ligandability	Volume (Å3)
0.213	401.625

% Hydrophobic	% Polar
46.22	53.78
According to VolSite

HET Code:	S7M
Formula:	C16H25N6O5S
Molecular weight:	413.472 g/mol
DrugBank ID:	-
Buried Surface Area:	70.94 %
Polar Surface area:	189.77 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	2
Rule of Five Violation:	1
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
29.629	51.0559	6.69843

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