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 beta, mitochondrial	ATP synthase subunit gamma, mitochondrial
ID:	ATPA_BOVIN	ATPB_BOVIN	ATPG_BOVIN
AC:	P19483	P00829	P05631
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	/	3.6.3.14	/

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Chains:

Chain Name:	Percentage of Residues within binding site
B	17 %
C	20 %
E	7 %
F	20 %
G	37 %

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Ligand binding site composition:

B-Factor:	21.864
Number of residues:	31
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.167	486.000

% Hydrophobic	% Polar
59.72	40.28
According to VolSite

HET Code:	PIT
Formula:	C14H12O4
Molecular weight:	244.243 g/mol
DrugBank ID:	DB08399
Buried Surface Area:	63.1 %
Polar Surface area:	80.92 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	4
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
-5.93561	24.9512	8.8935

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