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:	Transitional endoplasmic reticulum ATPase
ID:	TERA_MOUSE
AC:	Q01853
Organism:	Mus musculus
Reign:	Eukaryota
TaxID:	10090
EC Number:	3.6.4.6

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Chains:

Chain Name:	Percentage of Residues within binding site
H	6 %
M	94 %

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Ligand binding site composition:

B-Factor:	71.145
Number of residues:	33
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.134	2662.875

% Hydrophobic	% Polar
37.14	62.86
According to VolSite

HET Code:	ADP
Formula:	C10H12N5O10P2
Molecular weight:	424.177 g/mol
DrugBank ID:	-
Buried Surface Area:	61.86 %
Polar Surface area:	260.7 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
-19.2268	-44.792	-4.86596

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