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	ArsB
ID:	F6MZ55_9FIRM	F6MZ56_9FIRM
AC:	F6MZ55	F6MZ56
Organism:	Sporomusa ovata
Reign:	Bacteria
TaxID:	2378
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
C	68 %
D	32 %

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Ligand binding site composition:

B-Factor:	17.452
Number of residues:	21
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.343	742.500

% Hydrophobic	% Polar
57.27	42.73
According to VolSite

HET Code:	DMD
Formula:	C9H10N2
Molecular weight:	146.189 g/mol
DrugBank ID:	DB02591
Buried Surface Area:	66.75 %
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

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Mass center Coordinates

X	Y	Z
-22.3072	15.5089	13.1217

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