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:	Uncharacterized protein
ID:	Q8X831_ECO57
AC:	Q8X831
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:	24.965
Number of residues:	32
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	MG

---

Cavity properties

Ligandability	Volume (Å3)
0.646	617.625

% Hydrophobic	% Polar
43.72	56.28
According to VolSite

HET Code:	ANP
Formula:	C10H13N6O12P3
Molecular weight:	502.164 g/mol
DrugBank ID:	-
Buried Surface Area:	62.41 %
Polar Surface area:	322.68 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

---

Mass center Coordinates

X	Y	Z
-11.396	29.584	-26.4127

• 2D View
• 3D View