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:	Chitinase A
ID:	Q9AMP1_VIBHA
AC:	Q9AMP1
Organism:	Vibrio harveyi
Reign:	Bacteria
TaxID:	669
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	13.062
Number of residues:	19
Including
Standard Amino Acids:	17
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.353	1019.250

% Hydrophobic	% Polar
41.06	58.94
According to VolSite

HET Code:	CTI
Formula:	C21H18NO4
Molecular weight:	348.372 g/mol
DrugBank ID:	-
Buried Surface Area:	34.11 %
Polar Surface area:	40.79 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	0
Rings:	5
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
17.4525	-9.16208	22.9089

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