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_HV1B1
AC:	P03366
Organism:	Human immunodeficiency virus type 1 group M subtype B
Reign:	Viruses
TaxID:	11678
EC Number:	3.4.23.16

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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:	24.871
Number of residues:	18
Including
Standard Amino Acids:	17
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.676	344.250

% Hydrophobic	% Polar
57.84	42.16
According to VolSite

HET Code:	LJG
Formula:	C24H40N5O4S2
Molecular weight:	526.735 g/mol
DrugBank ID:	-
Buried Surface Area:	42.54 %
Polar Surface area:	160.16 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	3
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	14

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Mass center Coordinates

X	Y	Z
-9.80106	15.1273	-10.5713

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