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 B
ID:	CHIB_SERMA
AC:	P11797
Organism:	Serratia marcescens
Reign:	Bacteria
TaxID:	615
EC Number:	3.2.1.14

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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:	18.633
Number of residues:	22
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.855	1559.250

% Hydrophobic	% Polar
45.67	54.33
According to VolSite

HET Code:	0HZ
Formula:	C11H20N5O2
Molecular weight:	254.309 g/mol
DrugBank ID:	-
Buried Surface Area:	52.42 %
Polar Surface area:	113.04 Å2

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

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Mass center Coordinates

X	Y	Z
17.0762	42.2609	102.882

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