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:	Dihydroorotase
ID:	PYRC_ECOLI
AC:	P05020
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	3.5.2.3

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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:	45.247
Number of residues:	24
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	3
Water Molecules:	0
Cofactors:
Metals:	ZN ZN

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Cavity properties

Ligandability	Volume (Å3)
0.005	374.625

% Hydrophobic	% Polar
43.24	56.76
According to VolSite

HET Code:	FOT
Formula:	C5H2FN2O4
Molecular weight:	173.079 g/mol
DrugBank ID:	-
Buried Surface Area:	72.76 %
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
26.3504	40.9271	72.1402

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