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:	Response regulator
ID:	Q8P559_XANCP
AC:	Q8P559
Organism:	Xanthomonas campestris pv. campestris
Reign:	Bacteria
TaxID:	190485
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	35 %
B	65 %

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Ligand binding site composition:

B-Factor:	18.995
Number of residues:	37
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	3
Water Molecules:	2
Cofactors:
Metals:	MG MG

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Cavity properties

Ligandability	Volume (Å3)
0.523	1825.875

% Hydrophobic	% Polar
34.20	65.80
According to VolSite

HET Code:	C2E
Formula:	C20H22N10O14P2
Molecular weight:	688.395 g/mol
DrugBank ID:	-
Buried Surface Area:	48.05 %
Polar Surface area:	366.32 Å2

Number of
H-Bond Acceptors:	20
H-Bond Donors:	6
Rings:	7
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
74.7193	33.828	47.1723

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