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:	Alpha-ketoglutarate-dependent dioxygenase AlkB
ID:	ALKB_ECOLI
AC:	P05050
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	1.14.11.33

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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:	21.556
Number of residues:	40
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:	FE

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Cavity properties

Ligandability	Volume (Å3)
0.842	617.625

% Hydrophobic	% Polar
48.09	51.91
According to VolSite

HET Code:	MD5
Formula:	C12H10N2O7S
Molecular weight:	326.282 g/mol
DrugBank ID:	-
Buried Surface Area:	78.82 %
Polar Surface area:	180.48 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	1
Rings:	1
Aromatic rings:	1
Anionic atoms:	3
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
-2.93014	2.66836	3.50059

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