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:	2.7.7.49

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Chains:

Chain Name:	Percentage of Residues within binding site
A	88 %
B	12 %

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Ligand binding site composition:

B-Factor:	35.581
Number of residues:	26
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.065	411.750

% Hydrophobic	% Polar
55.74	44.26
According to VolSite

HET Code:	1QP
Formula:	C10H10N2O2
Molecular weight:	190.199 g/mol
DrugBank ID:	-
Buried Surface Area:	72.73 %
Polar Surface area:	43.6 Å2

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

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Mass center Coordinates

X	Y	Z
55.6874	-19.5606	42.7039

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