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:	Protein LlR18A
ID:	L18A_LUPLU
AC:	P52778
Organism:	Lupinus luteus
Reign:	Eukaryota
TaxID:	3873
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:	13.065
Number of residues:	26
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.591	1309.500

% Hydrophobic	% Polar
62.63	37.37
According to VolSite

HET Code:	ZEA
Formula:	C10H13N5O
Molecular weight:	219.243 g/mol
DrugBank ID:	DB11337
Buried Surface Area:	27.27 %
Polar Surface area:	86.72 Å2

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

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Mass center Coordinates

X	Y	Z
0.01175	3.24187	0.388437

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