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:	Retinol dehydratase
ID:	Q26490_SPOFR
AC:	Q26490
Organism:	Spodoptera frugiperda
Reign:	Eukaryota
TaxID:	7108
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	29.846
Number of residues:	27
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.451	1248.750

% Hydrophobic	% Polar
59.73	40.27
According to VolSite

HET Code:	RTL
Formula:	C20H30O
Molecular weight:	286.452 g/mol
DrugBank ID:	DB00162
Buried Surface Area:	54.26 %
Polar Surface area:	20.23 Å2

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

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Mass center Coordinates

X	Y	Z
44.329	7.95862	5.82486

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