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:	Methylketone synthase I
ID:	E0YCS2_SOLHA
AC:	E0YCS2
Organism:	Lycopersicon hirsutum f. glabratum
Reign:	Eukaryota
TaxID:	283673
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:	20.280
Number of residues:	23
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.671	1076.625

% Hydrophobic	% Polar
59.25	40.75
According to VolSite

HET Code:	3HO
Formula:	C8H15O3
Molecular weight:	159.203 g/mol
DrugBank ID:	-
Buried Surface Area:	54.78 %
Polar Surface area:	60.36 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	1
Rings:	0
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
19.2665	-5.41855	0.870364

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