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:	Urease accessory protein UreG
ID:	UREG_HELPY
AC:	Q09066
Organism:	Helicobacter pylori
Reign:	Bacteria
TaxID:	85962
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
E	71 %
F	29 %

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Ligand binding site composition:

B-Factor:	70.359
Number of residues:	35
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.041	1174.500

% Hydrophobic	% Polar
40.23	59.77
According to VolSite

HET Code:	GDP
Formula:	C10H12N5O11P2
Molecular weight:	440.177 g/mol
DrugBank ID:	DB04315
Buried Surface Area:	67.53 %
Polar Surface area:	276.39 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	4
Rings:	3
Aromatic rings:	1
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
-47.6851	7.58271	33.8877

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