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:	Purine nucleoside phosphorylase DeoD-type
ID:	DEOD_ECO57
AC:	P0ABP9
Organism:	Escherichia coli O157:H7
Reign:	Bacteria
TaxID:	83334
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

---

Ligand binding site composition:

B-Factor:	24.767
Number of residues:	24
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.808	742.500

% Hydrophobic	% Polar
51.36	48.64
According to VolSite

HET Code:	FMB
Formula:	C10H12N4O5
Molecular weight:	268.226 g/mol
DrugBank ID:	DB04198
Buried Surface Area:	60.52 %
Polar Surface area:	140.06 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	5
Rings:	3
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

---

Mass center Coordinates

X	Y	Z
74.4327	33.6647	-4.97074

• 2D View
• 3D View