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:	Glycerol kinase
ID:	GLPK_ECOLI
AC:	P0A6F3
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
Y	100 %

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Ligand binding site composition:

B-Factor:	28.457
Number of residues:	41
Including
Standard Amino Acids:	40
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
0.495	853.875

% Hydrophobic	% Polar
36.76	63.24
According to VolSite

HET Code:	ATF
Formula:	C11H12F2N5O12P3
Molecular weight:	537.157 g/mol
DrugBank ID:	-
Buried Surface Area:	55.9 %
Polar Surface area:	310.64 Å2

Number of
H-Bond Acceptors:	16
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
49.389	50.0274	12.9248

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