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:	GMP synthase [glutamine-hydrolyzing]
ID:	Q8IJR9_PLAF7
AC:	Q8IJR9
Organism:	Plasmodium falciparum
Reign:	Eukaryota
TaxID:	36329
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	10 %
B	90 %

---

Ligand binding site composition:

B-Factor:	47.107
Number of residues:	21
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.054	968.625

% Hydrophobic	% Polar
45.99	54.01
According to VolSite

HET Code:	XMP
Formula:	C10H11N4O9P
Molecular weight:	362.190 g/mol
DrugBank ID:	DB02309
Buried Surface Area:	48.37 %
Polar Surface area:	207.94 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	4
Rings:	3
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	4

---

Mass center Coordinates

X	Y	Z
-10.5792	32.4615	43.8378

• 2D View
• 3D View