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:	Catechol 2,3-dioxygenase
ID:	Q0S9X1_RHOJR
AC:	Q0S9X1
Organism:	Rhodococcus jostii
Reign:	Bacteria
TaxID:	101510
EC Number:	/

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	14.034
Number of residues:	33
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	FE

---

Cavity properties

Ligandability	Volume (Å3)
1.461	388.125

% Hydrophobic	% Polar
79.13	20.87
According to VolSite

HET Code:	HPX
Formula:	C12H9O4
Molecular weight:	217.197 g/mol
DrugBank ID:	DB07914
Buried Surface Area:	66.26 %
Polar Surface area:	77.43 Å2

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

---

Mass center Coordinates

X	Y	Z
12.0902	50.7827	50.6082

• 2D View
• 3D View