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:	Thymidine kinase
ID:	Q4QC75_LEIMA
AC:	Q4QC75
Organism:	Leishmania major
Reign:	Eukaryota
TaxID:	5664
EC Number:	/

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	35.429
Number of residues:	20
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	MG

---

Cavity properties

Ligandability	Volume (Å3)
0.049	367.875

% Hydrophobic	% Polar
47.71	52.29
According to VolSite

HET Code:	TTP
Formula:	C10H13N2O14P3
Molecular weight:	478.137 g/mol
DrugBank ID:	DB02452
Buried Surface Area:	58.01 %
Polar Surface area:	279.44 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	2
Rings:	2
Aromatic rings:	0
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	8

---

Mass center Coordinates

X	Y	Z
18.3994	-23.1771	100.928

• 2D View
• 3D View