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Guanine

Guanine /…°wa.nin/ is a nucleic base, more precisely a purine base (see also DNA and RNA). It is found in the form of a nucleotide: in DNA, it is dGMP for deoxyguanosine monophosphate or deoxyguanylate, and in RNA, it is GMP for guanosine monophosphate or guanylate. Guanine pairs with cytosine in both DNA and RNA and exists in six tautomeric forms, including four stereoisomers (1,9H, 1,7H, 3,9H, and 3,7H) and two tautomers with a different functional group (7,11H and 9,11H: oxo- and hydroxy-).

MBS146817 | Recombinant Human Guanine Deaminase
MBS545609 | Guanine
MBS635305 | Guanine Hydrochloride
MBS657834 | Guanine
MBS6074703 | Guanine
MBS6084034 | 9N-Trityl Guanine
MBS6085419 | N2-Phenoxyacetyl Guanine
MBS3609045 | Guanine
MBS5750166 | Guanine
MBS6131446 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) (AP)
MBS6136749 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) APC
MBS6142052 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) (Biotin)
MBS6147355 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) (FITC)
MBS6152658 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) (HRP)
MBS6157961 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) (PE)
MBS6190309 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) (MaxLight 405)
MBS6200984 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) (MaxLight 490)
MBS6211659 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) (MaxLight 550)
MBS6222334 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) (MaxLight 650)
MBS6233009 | GDA (Guanine Deaminase, Guanase, Guanine Aminase, Guanine Aminohydrolase, GAH, p51-nedasin, KIAA1258) (MaxLight 750)


Accession Number : KLM0000210 This work is released into the public domain; please see our release statement.
Doug Markham has contributed a molecular mechanics computation of the structure! See below for the details.

guanine-3d.gif

Config Rule :

 

% guanine


config(guanine,[
        model(purine,[
                diff(nit(1),nit(1,hyd)),
                diff(car(2,hyd),car(2,amine(10))),
                diff(car(6,hyd),car(6,oxy?))])]).

config(purine,[
        ring_system([
                ring([
                        car(6,hyd)&,
                        car(5)&,
                        car(4)&,
                        nit(3)&,
                        car(2,hyd)&,
                        nit(1)&]),
                ring([
                        nit(7)&,
                        car(8,hyd)&,
                        nit(9,hyd)&,
                        car(4)&,
                        car(5)&])],
                conjugate(1,pseudopos([car(4),car(5)]),2,pseudopos([car(4),car(5)]))])]).

Smiles String :

 

[c]1([nH][c]([c]2([c]([n]1)[nH][cH][n]2))[O-])[NH2]

guanine

Terminal :

% guanine

c(2,12,(0,nonchiral))-[n(10,nil)~,n(3,flat)&,n(1,flat)&],
c(4,12,(0,nonchiral))-[n(3,flat)&,c(5,flat)&,n(9,flat)&],
c(5,12,(0,nonchiral))-[c(4,flat)&,c(6,flat)&,n(7,flat)&],
c(6,12,(0,nonchiral))-[o(1,nil)?,n(1,flat)&,c(5,flat)&],
c(8,12,(0,nonchiral))-[h(4,nil)~,n(7,flat)&,n(9,flat)&],
h(1,1,(0,nonchiral))-[n(10,nil)~],
h(2,1,(0,nonchiral))-[n(10,nil)~],
h(3,1,(0,nonchiral))-[n(1,nil)~],
h(4,1,(0,nonchiral))-[c(8,nil)~],
h(5,1,(0,nonchiral))-[n(9,nil)~],
n(1,14,(0,nonchiral))-[h(3,nil)~,c(2,flat)&,c(6,flat)&],
n(3,14,(0,nonchiral))-[c(2,flat)&,c(4,flat)&],
n(7,14,(0,nonchiral))-[c(5,flat)&,c(8,flat)&],
n(9,14,(0,nonchiral))-[h(5,nil)~,c(8,flat)&,c(4,flat)&],
n(10,14,(0,nonchiral))-[h(1,nil)~,h(2,nil)~,c(2,nil)~],
o(1,16,(0,nonchiral))-[c(6,nil)?]

The Terminals for all the Config Rules are in Prolog Definite Clause Grammar (DCG) form.They can be checked in the Manual here.

The compound's PDB file can be seen here.

Doug Markham of the Institute for Cancer Research, Fox Chase Cancer Center,Philadelphia, PA, has contributed the following structure for guanine. He computed this structure in sdf format using MacroModel, a molecular mechanics program. We have used Babel to convert the .sdf format to PDB format. You'll find it interesting to compare these structures to those computed using CONCORD.

Many thanks Doug!