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:	Phosphoribosylglycinamide formyltransferase
ID:	PUR3_ECOLI
AC:	P08179
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
C	100 %

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Ligand binding site composition:

B-Factor:	16.979
Number of residues:	30
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.959	813.375

% Hydrophobic	% Polar
45.23	54.77
According to VolSite

HET Code:	GAR
Formula:	C7H14N2O8P
Molecular weight:	285.168 g/mol
DrugBank ID:	DB02236
Buried Surface Area:	58.65 %
Polar Surface area:	188.65 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	4
Rings:	1
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
78.9326	12.0184	40.2622

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