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:	Formate--tetrahydrofolate ligase
ID:	FTHS_MOOTA
AC:	Q2RM91
Organism:	Moorella thermoacetica
Reign:	Bacteria
TaxID:	264732
EC Number:	/

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	26.616
Number of residues:	18
Including
Standard Amino Acids:	18
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.703	384.750

% Hydrophobic	% Polar
52.63	47.37
According to VolSite

HET Code:	FOL
Formula:	C19H17N7O6
Molecular weight:	439.382 g/mol
DrugBank ID:	DB00158
Buried Surface Area:	37.18 %
Polar Surface area:	214.64 Å2

Number of
H-Bond Acceptors:	12
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	9

---

Mass center Coordinates

X	Y	Z
6.43891	8.30503	75.9625

• 2D View
• 3D View