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:	Bifunctional dihydrofolate reductase-thymidylate synthase
ID:	DRTS_PLAFK
AC:	P13922
Organism:	Plasmodium falciparum
Reign:	Eukaryota
TaxID:	5839
EC Number:	1.5.1.3

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Chains:

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

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Ligand binding site composition:

B-Factor:	71.221
Number of residues:	31
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	NDP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.048	654.750

% Hydrophobic	% Polar
56.19	43.81
According to VolSite

HET Code:	RJ6
Formula:	C10H17N5O2
Molecular weight:	239.274 g/mol
DrugBank ID:	DB08479
Buried Surface Area:	67.88 %
Polar Surface area:	119.72 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	5
Rings:	1
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	2
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
30.2205	-30.2017	6.76888

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