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 type 1 from Tn4003
ID:	DYRA_STAAU
AC:	P13955
Organism:	Staphylococcus aureus
Reign:	Bacteria
TaxID:	1280
EC Number:	1.5.1.3

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Chains:

Chain Name:	Percentage of Residues within binding site
B	4 %
E	96 %

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Ligand binding site composition:

B-Factor:	31.081
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.414	2136.375

% Hydrophobic	% Polar
47.39	52.61
According to VolSite

HET Code:	TOP
Formula:	C14H18N4O3
Molecular weight:	290.318 g/mol
DrugBank ID:	DB00440
Buried Surface Area:	57.66 %
Polar Surface area:	105.51 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	2
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
-12.9588	22.8393	11.7635

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