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:	DNA integrity scanning protein DisA
ID:	DISA_THEMA
AC:	Q9WY43
Organism:	Thermotoga maritima
Reign:	Bacteria
TaxID:	243274
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	52 %
B	48 %

---

Ligand binding site composition:

B-Factor:	26.478
Number of residues:	33
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.985	1377.000

% Hydrophobic	% Polar
35.78	64.22
According to VolSite

HET Code:	2BA
Formula:	C20H22N10O12P2
Molecular weight:	656.396 g/mol
DrugBank ID:	-
Buried Surface Area:	61.93 %
Polar Surface area:	334.95 Å2

Number of
H-Bond Acceptors:	20
H-Bond Donors:	4
Rings:	7
Aromatic rings:	4
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	2

---

Mass center Coordinates

X	Y	Z
67.4643	17.5274	-39.7893

• 2D View
• 3D View