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:	Class B acid phosphatase
ID:	APHA_ECOLI
AC:	P0AE22
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	3.1.3.2

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Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

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Ligand binding site composition:

B-Factor:	6.797
Number of residues:	35
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
0.471	590.625

% Hydrophobic	% Polar
41.71	58.29
According to VolSite

HET Code:	5HG
Formula:	C8H10N5O4P
Molecular weight:	271.170 g/mol
DrugBank ID:	DB13868
Buried Surface Area:	66.27 %
Polar Surface area:	151.85 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	1
Rings:	2
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
40.9672	-9.50272	20.7042

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