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_HV1H2
AC:	P04585
Organism:	Human immunodeficiency virus type 1 group M subtype B
Reign:	Viruses
TaxID:	11706
EC Number:	3.4.23.16

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Chains:

Chain Name:	Percentage of Residues within binding site
A	50 %
B	50 %

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Ligand binding site composition:

B-Factor:	18.898
Number of residues:	36
Including
Standard Amino Acids:	36
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.902	627.750

% Hydrophobic	% Polar
48.39	51.61
According to VolSite

HET Code:	216
Formula:	C25H30N2O3
Molecular weight:	406.517 g/mol
DrugBank ID:	DB06910
Buried Surface Area:	62.62 %
Polar Surface area:	64.01 Å2

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

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Mass center Coordinates

X	Y	Z
-9.29753	16.1293	27.9111

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