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:	2-dehydro-3-deoxyphosphooctonate aldolase
ID:	KDSA_ECOLI
AC:	P0A715
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	2.5.1.55

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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:	38.994
Number of residues:	16
Including
Standard Amino Acids:	16
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.501	870.750

% Hydrophobic	% Polar
33.33	66.67
According to VolSite

HET Code:	PEP
Formula:	C3H2O6P
Molecular weight:	165.018 g/mol
DrugBank ID:	DB01819
Buried Surface Area:	48.27 %
Polar Surface area:	122.36 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	0
Rings:	0
Aromatic rings:	0
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
6.4036	111.287	75.3953

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