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:	Mycocyclosin synthase
ID:	CP121_MYCTU
AC:	P9WPP7
Organism:	Mycobacterium tuberculosis
Reign:	Bacteria
TaxID:	83332
EC Number:	1.14.21.9

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	14.223
Number of residues:	29
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.053	1603.125

% Hydrophobic	% Polar
54.95	45.05
According to VolSite

HET Code:	PZB
Formula:	C15H12N2O3
Molecular weight:	268.267 g/mol
DrugBank ID:	-
Buried Surface Area:	61.23 %
Polar Surface area:	78.37 Å2

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

---

Mass center Coordinates

X	Y	Z
-11.9284	-17.4685	-3.0661

• 2D View
• 3D View