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:	Acetyl-CoA carboxylase
ID:	ACAC_YEAST
AC:	Q00955
Organism:	Saccharomyces cerevisiae
Reign:	Eukaryota
TaxID:	559292
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
B	67 %
C	33 %

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Ligand binding site composition:

B-Factor:	77.541
Number of residues:	33
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.975	1704.375

% Hydrophobic	% Polar
55.25	44.75
According to VolSite

HET Code:	GY3
Formula:	C18H21N2O3
Molecular weight:	313.371 g/mol
DrugBank ID:	-
Buried Surface Area:	66.42 %
Polar Surface area:	58.75 Å2

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

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Mass center Coordinates

X	Y	Z
47.5689	-35.7459	19.8153

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