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:	Dihydroorotate dehydrogenase (fumarate)
ID:	Q4QEW7_LEIMA
AC:	Q4QEW7
Organism:	Leishmania major
Reign:	Eukaryota
TaxID:	5664
EC Number:	/

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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:	17.828
Number of residues:	22
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	FMN
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.140	421.875

% Hydrophobic	% Polar
24.00	76.00
According to VolSite

HET Code:	ORO
Formula:	C5H3N2O4
Molecular weight:	155.088 g/mol
DrugBank ID:	DB02262
Buried Surface Area:	71.37 %
Polar Surface area:	98.33 Å2

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

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Mass center Coordinates

X	Y	Z
52.7125	-21.7677	-15.1985

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