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
B	100 %

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Ligand binding site composition:

B-Factor:	26.548
Number of residues:	17
Including
Standard Amino Acids:	15
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.764	384.750

% Hydrophobic	% Polar
57.89	42.11
According to VolSite

HET Code:	GUN
Formula:	C5H5N5O
Molecular weight:	151.126 g/mol
DrugBank ID:	DB02377
Buried Surface Area:	72.18 %
Polar Surface area:	96.16 Å2

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

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Mass center Coordinates

X	Y	Z
22.8104	31.9913	-7.68018

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