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:	I1KHY6_SOYBN
AC:	I1KHY6
Organism:	Glycine max
Reign:	Eukaryota
TaxID:	3847
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	54 %
E	46 %

---

Ligand binding site composition:

B-Factor:	66.370
Number of residues:	37
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.296	1360.125

% Hydrophobic	% Polar
53.10	46.90
According to VolSite

HET Code:	COA
Formula:	C21H32N7O16P3S
Molecular weight:	763.502 g/mol
DrugBank ID:	DB01992
Buried Surface Area:	35.89 %
Polar Surface area:	426.11 Å2

Number of
H-Bond Acceptors:	21
H-Bond Donors:	6
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	18

---

Mass center Coordinates

X	Y	Z
-48.9502	-40.1423	-56.1074

• 2D View
• 3D View