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:	L,D-transpeptidase 2
ID:	LDT2_MYCTO
AC:	O53223
Organism:	Mycobacterium tuberculosis
Reign:	Bacteria
TaxID:	83331
EC Number:	2.3.2

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	13 %
B	87 %

---

Ligand binding site composition:

B-Factor:	32.555
Number of residues:	24
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.118	621.000

% Hydrophobic	% Polar
40.76	59.24
According to VolSite

HET Code:	DWZ
Formula:	C17H27N3O5S
Molecular weight:	385.478 g/mol
DrugBank ID:	-
Buried Surface Area:	44.17 %
Polar Surface area:	152.01 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	2
Rings:	2
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	7

---

Mass center Coordinates

X	Y	Z
-1.92715	-6.707	-5.18312

• 2D View
• 3D View