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:	Carbamoyl-phosphate synthase large chain
ID:	CARB_ECOLI
AC:	P00968
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
G	100 %

---

Ligand binding site composition:

B-Factor:	31.624
Number of residues:	37
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	2
Water Molecules:	1
Cofactors:
Metals:	MN K

---

Cavity properties

Ligandability	Volume (Å3)
0.076	303.750

% Hydrophobic	% Polar
60.00	40.00
According to VolSite

HET Code:	ADP
Formula:	C10H12N5O10P2
Molecular weight:	424.177 g/mol
DrugBank ID:	-
Buried Surface Area:	85.27 %
Polar Surface area:	260.7 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

---

Mass center Coordinates

X	Y	Z
19.707	-16.0147	-14.1459

• 2D View
• 3D View