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:	Phosphoribosylformylglycinamidine synthase subunit PurL
ID:	PURL_THEMA
AC:	Q9X0X3
Organism:	Thermotoga maritima
Reign:	Bacteria
TaxID:	243274
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:	33.133
Number of residues:	45
Including
Standard Amino Acids:	42
Non Standard Amino Acids:	2
Water Molecules:	1
Cofactors:
Metals:	MG MG

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Cavity properties

Ligandability	Volume (Å3)
0.139	745.875

% Hydrophobic	% Polar
29.86	70.14
According to VolSite

HET Code:	ACP
Formula:	C11H14N5O12P3
Molecular weight:	501.176 g/mol
DrugBank ID:	DB03909
Buried Surface Area:	57.17 %
Polar Surface area:	310.64 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
29.0692	-29.4969	133.298

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