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, alpha type
ID:	Q39588_CHLRE
AC:	Q39588
Organism:	Chlamydomonas reinhardtii
Reign:	Eukaryota
TaxID:	3055
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	91 %
G	4 %
H	4 %

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Ligand binding site composition:

B-Factor:	24.001
Number of residues:	24
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.793	1825.875

% Hydrophobic	% Polar
48.43	51.57
According to VolSite

HET Code:	AZM
Formula:	C4H6N4O3S2
Molecular weight:	222.245 g/mol
DrugBank ID:	DB00819
Buried Surface Area:	63.88 %
Polar Surface area:	151.66 Å2

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

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Mass center Coordinates

X	Y	Z
-35.2092	-33.3645	23.4335

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