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:	RNA-directed RNA polymerase lambda-3
ID:	RDRP_REOVD
AC:	P0CK31
Organism:	Reovirus type 3
Reign:	Viruses
TaxID:	10886
EC Number:	2.7.7.48

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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:	39.093
Number of residues:	30
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	2
Water Molecules:	1
Cofactors:
Metals:	MN MN

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Cavity properties

Ligandability	Volume (Å3)
0.149	1123.875

% Hydrophobic	% Polar
26.43	73.57
According to VolSite

HET Code:	CH1
Formula:	C9H12N3O13P3
Molecular weight:	463.125 g/mol
DrugBank ID:	-
Buried Surface Area:	42.5 %
Polar Surface area:	288.71 Å2

Number of
H-Bond Acceptors:	15
H-Bond Donors:	2
Rings:	2
Aromatic rings:	0
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
-7.916	92.8671	17.0516

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