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:	NADPH-dependent 7-cyano-7-deazaguanine reductase
ID:	QUEF_VIBCH
AC:	Q9KTK0
Organism:	Vibrio cholerae serotype O1
Reign:	Bacteria
TaxID:	243277
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	40.235
Number of residues:	17
Including
Standard Amino Acids:	16
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.254	340.875

% Hydrophobic	% Polar
49.50	50.50
According to VolSite

HET Code:	PRF
Formula:	C7H10N5O
Molecular weight:	180.187 g/mol
DrugBank ID:	DB03304
Buried Surface Area:	67.92 %
Polar Surface area:	110.91 Å2

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

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Mass center Coordinates

X	Y	Z
-21.0258	-27.878	0.763154

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