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

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	55 %
B	45 %

---

Ligand binding site composition:

B-Factor:	34.413
Number of residues:	21
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.272	570.375

% Hydrophobic	% Polar
44.38	55.62
According to VolSite

HET Code:	TYD
Formula:	C10H13N2O11P2
Molecular weight:	399.165 g/mol
DrugBank ID:	DB03103
Buried Surface Area:	40.1 %
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

---

Mass center Coordinates

X	Y	Z
7.1966	14.1094	41.4333

• 2D View
• 3D View