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:	Gallate dioxygenase
ID:	G2IKE5_9SPHN
AC:	G2IKE5
Organism:	Sphingobium sp. SYK-6
Reign:	Bacteria
TaxID:	627192
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	29 %
B	71 %

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Ligand binding site composition:

B-Factor:	15.454
Number of residues:	24
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:	FE2

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Cavity properties

Ligandability	Volume (Å3)
0.663	273.375

% Hydrophobic	% Polar
58.02	41.98
According to VolSite

HET Code:	GDE
Formula:	C7H5O5
Molecular weight:	169.112 g/mol
DrugBank ID:	-
Buried Surface Area:	71.55 %
Polar Surface area:	100.82 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	1
Aromatic rings:	1
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

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Mass center Coordinates

X	Y	Z
23.0058	3.22642	9.17433

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