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:	Tryptophan synthase alpha chain
ID:	TRPA_SALTY
AC:	P00929
Organism:	Salmonella typhimurium
Reign:	Bacteria
TaxID:	99287
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	92 %
B	8 %

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Ligand binding site composition:

B-Factor:	20.855
Number of residues:	41
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.358	344.250

% Hydrophobic	% Polar
70.59	29.41
According to VolSite

HET Code:	F19
Formula:	C12H12NO6PS
Molecular weight:	329.266 g/mol
DrugBank ID:	DB07732
Buried Surface Area:	76.02 %
Polar Surface area:	136.78 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	1
Rings:	2
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
49.0535	26.0046	13.713

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