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
ID:	ATPA_THEMA
AC:	Q9X1U7
Organism:	Thermotoga maritima
Reign:	Bacteria
TaxID:	243274
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

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Ligand binding site composition:

B-Factor:	36.049
Number of residues:	31
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
0.242	702.000

% Hydrophobic	% Polar
42.31	57.69
According to VolSite

HET Code:	ATP
Formula:	C10H12N5O13P3
Molecular weight:	503.149 g/mol
DrugBank ID:	DB00171
Buried Surface Area:	51.21 %
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
60.1939	6.87619	89.7428

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