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:	Dihydrofolate reductase
ID:	DYR_MOUSE
AC:	P00375
Organism:	Mus musculus
Reign:	Eukaryota
TaxID:	10090
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:	13.172
Number of residues:	28
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	NDP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.034	604.125

% Hydrophobic	% Polar
61.45	38.55
According to VolSite

HET Code:	Q22
Formula:	C21H19N7O
Molecular weight:	385.422 g/mol
DrugBank ID:	DB08448
Buried Surface Area:	70.03 %
Polar Surface area:	127.07 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	3
Rings:	5
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
-5.07683	2.19697	14.8553

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