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:	Strictosidine synthase
ID:	STSY_RAUSE
AC:	P68175
Organism:	Rauvolfia serpentina
Reign:	Eukaryota
TaxID:	4060
EC Number:	4.3.3.2

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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:	59.389
Number of residues:	24
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.021	621.000

% Hydrophobic	% Polar
56.52	43.48
According to VolSite

HET Code:	0LH
Formula:	C10H13N2
Molecular weight:	161.224 g/mol
DrugBank ID:	-
Buried Surface Area:	60.36 %
Polar Surface area:	32.57 Å2

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

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Mass center Coordinates

X	Y	Z
-27.2977	45.598	8.19725

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