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:	Phosphotriesterase
ID:	Q93LD7_RHIRD
AC:	Q93LD7
Organism:	Rhizobium radiobacter
Reign:	Bacteria
TaxID:	358
EC Number:	/

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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:	14.809
Number of residues:	23
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	FE2

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Cavity properties

Ligandability	Volume (Å3)
0.473	398.250

% Hydrophobic	% Polar
48.31	51.69
According to VolSite

HET Code:	EPL
Formula:	C11H17O5P
Molecular weight:	260.223 g/mol
DrugBank ID:	DB07721
Buried Surface Area:	64.41 %
Polar Surface area:	63.8 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	0
Rings:	1
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	7

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Mass center Coordinates

X	Y	Z
26.7212	19.7984	1.24406

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