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:	Lipopolysaccharide heptosyltransferase 1
ID:	RFAC_ECOLI
AC:	P24173
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	2

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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:	28.704
Number of residues:	35
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.394	313.875

% Hydrophobic	% Polar
45.16	54.84
According to VolSite

HET Code:	AFH
Formula:	C17H24FN5O15P2
Molecular weight:	619.343 g/mol
DrugBank ID:	-
Buried Surface Area:	51.07 %
Polar Surface area:	337.03 Å2

Number of
H-Bond Acceptors:	19
H-Bond Donors:	7
Rings:	4
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	10

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Mass center Coordinates

X	Y	Z
43.8805	8.84842	2.8083

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