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:	UDP-N-acetylmuramoylalanine--D-glutamate ligase
ID:	MURD_ECOLI
AC:	P14900
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	6.3.2.9

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	15.007
Number of residues:	40
Including
Standard Amino Acids:	36
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.797	904.500

% Hydrophobic	% Polar
37.69	62.31
According to VolSite

HET Code:	LK4
Formula:	C23H18N2O7S
Molecular weight:	466.463 g/mol
DrugBank ID:	DB08108
Buried Surface Area:	59.14 %
Polar Surface area:	167.83 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	1
Rings:	3
Aromatic rings:	3
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	10

---

Mass center Coordinates

X	Y	Z
-20.5835	-1.80109	-20.6011

• 2D View
• 3D View