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:	Polyamine aminopropyltransferase
ID:	SPEE_THET8
AC:	Q5SK28
Organism:	Thermus thermophilus
Reign:	Bacteria
TaxID:	300852
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:	47.897
Number of residues:	31
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.929	691.875

% Hydrophobic	% Polar
45.85	54.15
According to VolSite

HET Code:	MTA
Formula:	C11H15N5O3S
Molecular weight:	297.333 g/mol
DrugBank ID:	DB02282
Buried Surface Area:	76.09 %
Polar Surface area:	144.61 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
36.7212	24.7449	127.96

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