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

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Chains:

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

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Ligand binding site composition:

B-Factor:	17.635
Number of residues:	35
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.939	455.625

% Hydrophobic	% Polar
51.11	48.89
According to VolSite

HET Code:	P2P
Formula:	C10H11N4O8P
Molecular weight:	346.190 g/mol
DrugBank ID:	DB02905
Buried Surface Area:	66.18 %
Polar Surface area:	195.75 Å2

Number of
H-Bond Acceptors:	11
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
57.9279	40.4268	10.568

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