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:	Pyruvate carboxylase
ID:	Q2K340_RHIEC
AC:	Q2K340
Organism:	Rhizobium etli
Reign:	Bacteria
TaxID:	347834
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:	55.407
Number of residues:	11
Including
Standard Amino Acids:	11
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.489	394.875

% Hydrophobic	% Polar
40.17	59.83
According to VolSite

HET Code:	BTN
Formula:	C10H15N2O3S
Molecular weight:	243.303 g/mol
DrugBank ID:	DB00121
Buried Surface Area:	57.39 %
Polar Surface area:	106.55 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	2
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
-47.5796	-1.38811	37.986

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