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:	Endo-1,4-beta-xylanase B
ID:	XYNB_PAEBA
AC:	O69231
Organism:	Paenibacillus barcinonensis
Reign:	Bacteria
TaxID:	198119
EC Number:	3.2.1.8

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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:	11.308
Number of residues:	24
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.023	344.250

% Hydrophobic	% Polar
47.06	52.94
According to VolSite

HET Code:	HXH
Formula:	C19H22NO4
Molecular weight:	328.382 g/mol
DrugBank ID:	-
Buried Surface Area:	50.7 %
Polar Surface area:	86.53 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
11.2359	5.40971	0.756708

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