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:	Fructose-1,6-bisphosphate aldolase/phosphatase
ID:	B1YAL1_PYRNV
AC:	B1YAL1
Organism:	Pyrobaculum neutrophilum
Reign:	Archaea
TaxID:	444157
EC Number:	/

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	37.678
Number of residues:	24
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	3
Water Molecules:	0
Cofactors:
Metals:	MG MG

---

Cavity properties

Ligandability	Volume (Å3)
0.498	789.750

% Hydrophobic	% Polar
38.03	61.97
According to VolSite

HET Code:	13P
Formula:	C3H5O6P
Molecular weight:	168.042 g/mol
DrugBank ID:	DB04326
Buried Surface Area:	71.39 %
Polar Surface area:	119.53 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	1
Rings:	0
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

---

Mass center Coordinates

X	Y	Z
-62.0477	28.7874	17.7256

• 2D View
• 3D View