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:	Basic phospholipase A2 VRV-PL-VIIIa
ID:	PA2B8_DABRR
AC:	P59071
Organism:	Daboia russelii
Reign:	Eukaryota
TaxID:	31159
EC Number:	3.1.1.4

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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:	28.458
Number of residues:	14
Including
Standard Amino Acids:	13
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.913	469.125

% Hydrophobic	% Polar
61.15	38.85
According to VolSite

HET Code:	NIM
Formula:	C13H12N2O5S
Molecular weight:	308.310 g/mol
DrugBank ID:	DB04743
Buried Surface Area:	25.96 %
Polar Surface area:	109.6 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	2
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
33.4679	5.105	-9.58038

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