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:	Universal stress protein family protein, putative
ID:	A0QYW6_MYCS2
AC:	A0QYW6
Organism:	Mycobacterium smegmatis 155)
Reign:	Bacteria
TaxID:	246196
EC Number:	/

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	41.922
Number of residues:	32
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.517	324.000

% Hydrophobic	% Polar
54.17	45.83
According to VolSite

HET Code:	CMP
Formula:	C10H11N5O6P
Molecular weight:	328.198 g/mol
DrugBank ID:	DB02527
Buried Surface Area:	76.63 %
Polar Surface area:	167.48 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	2
Rings:	4
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	1

---

Mass center Coordinates

X	Y	Z
16.4894	37.2744	52.8676

• 2D View
• 3D View