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:	/

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	22.026
Number of residues:	41
Including
Standard Amino Acids:	39
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	MG MG

---

Cavity properties

Ligandability	Volume (Å3)
1.047	1191.375

% Hydrophobic	% Polar
39.09	60.91
According to VolSite

HET Code:	ACP
Formula:	C11H14N5O12P3
Molecular weight:	501.176 g/mol
DrugBank ID:	DB03909
Buried Surface Area:	57.9 %
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

---

Mass center Coordinates

X	Y	Z
55.0449	-29.6881	195.316

• 2D View
• 3D View