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:	RIO-type serine/threonine-protein kinase Rio1
ID:	RIO1_ARCFU
AC:	O28471
Organism:	Archaeoglobus fulgidus
Reign:	Archaea
TaxID:	224325
EC Number:	2.7.11.1

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Chains:

Chain Name:	Percentage of Residues within binding site
C	5 %
D	95 %

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Ligand binding site composition:

B-Factor:	20.840
Number of residues:	43
Including
Standard Amino Acids:	39
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:	MN

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Cavity properties

Ligandability	Volume (Å3)
1.039	1059.750

% Hydrophobic	% Polar
46.50	53.50
According to VolSite

HET Code:	ATP
Formula:	C10H12N5O13P3
Molecular weight:	503.149 g/mol
DrugBank ID:	DB00171
Buried Surface Area:	64.59 %
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
8.72674	0.262774	-27.4829

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