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:	Gag-Pol polyprotein
ID:	POL_SIVM1
AC:	P05896
Organism:	Simian immunodeficiency virus
Reign:	Viruses
TaxID:	11733
EC Number:	/

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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:	30.172
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)
0.807	371.250

% Hydrophobic	% Polar
56.36	43.64
According to VolSite

HET Code:	PHE_LEU_GLU_LYS
Formula:	C26H41N5O7
Molecular weight:	535.633 g/mol
DrugBank ID:	-
Buried Surface Area:	32.16 %
Polar Surface area:	222.83 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	5
Rings:	1
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	2
Rule of Five Violation:	2
Rotatable Bonds:	18

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Mass center Coordinates

X	Y	Z
-22.0524	-5.77863	-4.75747

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