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:	Small heat shock protein StHsp14.0
ID:	Q970D9_SULTO
AC:	Q970D9
Organism:	Sulfolobus tokodaii
Reign:	Archaea
TaxID:	273063
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
I	95 %
M	5 %

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Ligand binding site composition:

B-Factor:	60.364
Number of residues:	19
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.877	273.375

% Hydrophobic	% Polar
53.09	46.91
According to VolSite

HET Code:	VAL_ILE_LYS_ILE_GLU
Formula:	C28H52N6O8
Molecular weight:	600.748 g/mol
DrugBank ID:	-
Buried Surface Area:	29.43 %
Polar Surface area:	251.93 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	6
Rings:	0
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	2
Rule of Five Violation:	3
Rotatable Bonds:	21

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Mass center Coordinates

X	Y	Z
-56.4457	0.830429	14.8486

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