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_HV1N5
AC:	P12497
Organism:	Human immunodeficiency virus type 1 group M subtype B
Reign:	Viruses
TaxID:	11698
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	42 %
B	58 %

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Ligand binding site composition:

B-Factor:	20.905
Number of residues:	24
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.019	246.375

% Hydrophobic	% Polar
50.68	49.32
According to VolSite

HET Code:	Z5P
Formula:	C10H12N3
Molecular weight:	174.222 g/mol
DrugBank ID:	-
Buried Surface Area:	74.69 %
Polar Surface area:	45.46 Å2

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

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Mass center Coordinates

X	Y	Z
-7.44108	23.3975	11.7014

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