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:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
B	77 %
C	23 %

---

Ligand binding site composition:

B-Factor:	63.647
Number of residues:	31
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.132	1559.250

% Hydrophobic	% Polar
50.00	50.00
According to VolSite

HET Code:	B38
Formula:	C22H21N3O3
Molecular weight:	375.420 g/mol
DrugBank ID:	-
Buried Surface Area:	56.1 %
Polar Surface area:	75.29 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	1
Rings:	5
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

---

Mass center Coordinates

X	Y	Z
37.179	-36.6514	63.5098

• 2D View
• 3D View