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:	Alcohol dehydrogenase [NADP(+)]
ID:	AK1A1_PIG
AC:	P50578
Organism:	Sus scrofa
Reign:	Eukaryota
TaxID:	9823
EC Number:	1.1.1.2

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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:	15.571
Number of residues:	27
Including
Standard Amino Acids:	25
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.228	334.125

% Hydrophobic	% Polar
58.59	41.41
According to VolSite

HET Code:	FID
Formula:	C12H10FN3O4
Molecular weight:	279.224 g/mol
DrugBank ID:	DB02021
Buried Surface Area:	70.5 %
Polar Surface area:	110.52 Å2

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

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Mass center Coordinates

X	Y	Z
1.9015	-27.9593	-4.4147

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