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:	Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
ID:	COBT_SALTY
AC:	Q05603
Organism:	Salmonella typhimurium
Reign:	Bacteria
TaxID:	99287
EC Number:	2.4.2.21

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	6.662
Number of residues:	17
Including
Standard Amino Acids:	15
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.613	263.250

% Hydrophobic	% Polar
50.00	50.00
According to VolSite

HET Code:	DMD
Formula:	C9H10N2
Molecular weight:	146.189 g/mol
DrugBank ID:	DB02591
Buried Surface Area:	43.27 %
Polar Surface area:	28.68 Å2

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

---

Mass center Coordinates

X	Y	Z
58.5349	42.3994	13.0689

• 2D View
• 3D View