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:	O-methyltransferase family 2
ID:	D5STZ7_PLAL2
AC:	D5STZ7
Organism:	Planctopirus limnophila
Reign:	Bacteria
TaxID:	521674
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	12 %
B	88 %

---

Ligand binding site composition:

B-Factor:	16.486
Number of residues:	17
Including
Standard Amino Acids:	16
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.195	840.375

% Hydrophobic	% Polar
58.23	41.77
According to VolSite

HET Code:	AGI
Formula:	C15H9O5
Molecular weight:	269.229 g/mol
DrugBank ID:	DB07352
Buried Surface Area:	52.07 %
Polar Surface area:	89.82 Å2

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

---

Mass center Coordinates

X	Y	Z
42.2858	42.6781	42.6779

• 2D View
• 3D View