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_PLAVI
AC:	O02604
Organism:	Plasmodium vivax
Reign:	Eukaryota
TaxID:	5855
EC Number:	1.5.1.3

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Chains:

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

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Ligand binding site composition:

B-Factor:	31.446
Number of residues:	30
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	NDP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.628	658.125

% Hydrophobic	% Polar
66.67	33.33
According to VolSite

HET Code:	CP6
Formula:	C12H13ClN4
Molecular weight:	248.711 g/mol
DrugBank ID:	DB00205
Buried Surface Area:	70.83 %
Polar Surface area:	77.81 Å2

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

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Mass center Coordinates

X	Y	Z
89.7575	12.8972	34.0574

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