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:	Phosphomethylpyrimidine synthase
ID:	THIC_CAUCR
AC:	Q9A6Q5
Organism:	Caulobacter crescentus
Reign:	Bacteria
TaxID:	190650
EC Number:	/

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	28.324
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.533	742.500

% Hydrophobic	% Polar
35.45	64.55
According to VolSite

HET Code:	MP5
Formula:	C6H8N3O4P
Molecular weight:	217.119 g/mol
DrugBank ID:	-
Buried Surface Area:	67.5 %
Polar Surface area:	134.03 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	1
Rings:	1
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

---

Mass center Coordinates

X	Y	Z
43.1074	44.4502	0.432143

• 2D View
• 3D View