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

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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:	19.525
Number of residues:	42
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	1
Water Molecules:	4
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.101	1002.375

% Hydrophobic	% Polar
49.83	50.17
According to VolSite

HET Code:	T26
Formula:	C23H18N3O6S2
Molecular weight:	496.536 g/mol
DrugBank ID:	-
Buried Surface Area:	53.41 %
Polar Surface area:	209.95 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	2
Rings:	3
Aromatic rings:	2
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	10

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Mass center Coordinates

X	Y	Z
-12.3072	31.7177	54.1384

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