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:	Aspartate carbamoyltransferase regulatory chain {ECO:0000256|HAMAP-Rule:MF_00002}
ID:	E8Y329_ECOKO
AC:	E8Y329
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	595495
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
B	34 %
D	66 %

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Ligand binding site composition:

B-Factor:	79.033
Number of residues:	30
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	3
Water Molecules:	1
Cofactors:	ATP ATP
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
0.395	516.375

% Hydrophobic	% Polar
38.56	61.44
According to VolSite

HET Code:	ATP
Formula:	C10H12N5O13P3
Molecular weight:	503.149 g/mol
DrugBank ID:	DB00171
Buried Surface Area:	55.7 %
Polar Surface area:	319.88 Å2

Number of
H-Bond Acceptors:	17
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
23.401	89.153	40.8191

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