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
ID:	ATPA_BOVIN	ATPB_BOVIN
AC:	P19483	P00829
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
A	74 %
D	26 %

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Ligand binding site composition:

B-Factor:	43.313
Number of residues:	35
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
0.585	877.500

% Hydrophobic	% Polar
38.85	61.15
According to VolSite

HET Code:	ATP
Formula:	C10H12N5O13P3
Molecular weight:	503.149 g/mol
DrugBank ID:	DB00171
Buried Surface Area:	50.29 %
Polar Surface area:	319.88 Å2

Number of
H-Bond Acceptors:	17
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
95.2706	66.0408	41.4555

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