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:	Poly(A) polymerase catalytic subunit
ID:	PAP1_VACCW
AC:	P23371
Organism:	Vaccinia virus )
Reign:	Viruses
TaxID:	10254
EC Number:	2.7.7.19

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Chains:

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

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Ligand binding site composition:

B-Factor:	31.841
Number of residues:	34
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:
Metals:	CA CA

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Cavity properties

Ligandability	Volume (Å3)
0.538	951.750

% Hydrophobic	% Polar
40.07	59.93
According to VolSite

HET Code:	AGS
Formula:	C10H14N5O12P3S
Molecular weight:	521.231 g/mol
DrugBank ID:	DB02930
Buried Surface Area:	52.51 %
Polar Surface area:	329.24 Å2

Number of
H-Bond Acceptors:	17
H-Bond Donors:	5
Rings:	3
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
18.8648	13.4809	18.9964

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