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:	ATP synthase subunit alpha, mitochondrial	ATP synthase subunit gamma, mitochondrial
ID:	ATPA_BOVIN	ATPG_BOVIN
AC:	P19483	P05631
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
I	19 %
J	19 %
M	19 %
N	44 %

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Ligand binding site composition:

B-Factor:	30.561
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.028	411.750

% Hydrophobic	% Polar
64.75	35.25
According to VolSite

HET Code:	STL
Formula:	C14H12O3
Molecular weight:	228.243 g/mol
DrugBank ID:	DB02709
Buried Surface Area:	65.75 %
Polar Surface area:	60.69 Å2

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

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Mass center Coordinates

X	Y	Z
46.6349	-23.5266	61.1574

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