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:	Integrase
ID:	Q76353_9HIV1
AC:	Q76353
Organism:	Human immunodeficiency virus 1
Reign:	Viruses
TaxID:	11676
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:	24.478
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)
0.692	398.250

% Hydrophobic	% Polar
46.61	53.39
According to VolSite

HET Code:	NVU
Formula:	C9H6NO3
Molecular weight:	176.149 g/mol
DrugBank ID:	-
Buried Surface Area:	54.89 %
Polar Surface area:	66.16 Å2

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

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Mass center Coordinates

X	Y	Z
46.7503	64.5038	0.911385

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