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:	TDP-4-oxo-6-deoxy-alpha-D-glucose-3,4-oxoisomerase
ID:	FDTA_ANETH
AC:	Q6T1W8
Organism:	Aneurinibacillus thermoaerophilus
Reign:	Bacteria
TaxID:	143495
EC Number:	5.3.2.3

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Chains:

Chain Name:	Percentage of Residues within binding site
A	58 %
B	42 %

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Ligand binding site composition:

B-Factor:	31.538
Number of residues:	20
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.335	725.625

% Hydrophobic	% Polar
40.93	59.07
According to VolSite

HET Code:	TYD
Formula:	C10H13N2O11P2
Molecular weight:	399.165 g/mol
DrugBank ID:	DB03103
Buried Surface Area:	40.49 %
Polar Surface area:	220.27 Å2

Number of
H-Bond Acceptors:	11
H-Bond Donors:	2
Rings:	2
Aromatic rings:	0
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
16.7375	23.3056	58.9364

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