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:	Carbonic anhydrase 2
ID:	CAH2_HUMAN
AC:	P00918
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	4.2.1.1

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	8.316
Number of residues:	32
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

---

Cavity properties

Ligandability	Volume (Å3)
0.556	367.875

% Hydrophobic	% Polar
48.62	51.38
According to VolSite

HET Code:	SG4
Formula:	C10H17NO10S
Molecular weight:	343.308 g/mol
DrugBank ID:	-
Buried Surface Area:	60.25 %
Polar Surface area:	180.05 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	3
Rings:	1
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	7

---

Mass center Coordinates

X	Y	Z
16.6259	4.69018	13.1845

• 2D View
• 3D View