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:	Uncharacterized protein
ID:	Q9KN50_VIBCH
AC:	Q9KN50
Organism:	Vibrio cholerae serotype O1
Reign:	Bacteria
TaxID:	243277
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:	17.509
Number of residues:	17
Including
Standard Amino Acids:	17
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.219	253.125

% Hydrophobic	% Polar
48.00	52.00
According to VolSite

HET Code:	ASP_LEU_THR_ARG_PRO
Formula:	C25H45N8O8
Molecular weight:	585.674 g/mol
DrugBank ID:	-
Buried Surface Area:	27.99 %
Polar Surface area:	278.69 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	8
Rings:	1
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	2
Rule of Five Violation:	3
Rotatable Bonds:	17

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Mass center Coordinates

X	Y	Z
10.0581	37.3073	-12.0182

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