Coenzyme A Elisa


Accession Number : KLM0000090 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.

Coenzyme A (CoA) is an acyl group transfer coenzyme involved in numerous metabolic pathways such as the Krebs cycle and beta-oxidation. It was first isolated in 1951 by the German biochemist Feodor Lynen (who was awarded the Nobel Prize in 1964) in the form of acetyl-coenzyme A ("activated acetic acid") from yeast cells.

MBS013819 | Hamster Acetyl Coenzyme A Carboxylase ELISA Kit
MBS076370 | Goose Hydroxymethylglutaryl Coenzyme A Synthase ELISA Kit
MBS077578 | Cat Acetyl Coenzyme A Carboxylase ELISA Kit
MBS082729 | Mouse Stearoyl Coenzyme A Desaturase ELISA Kit
MBS083067 | Pigeon Hydroxymethylglutaryl Coenzyme A Synthase ELISA Kit
MBS083640 | Rat Hydroxymethylglutaryl Coenzyme A Synthase ELISA Kit
MBS705079 | Human malonyl coenzyme A ELISA Kit
MBS2607878 | Chicken malonyl coenzyme A ELISA Kit
MBS2607880 | Goat malonyl coenzyme A ELISA Kit
MBS9310375 | Rat Coenzyme A ELISA Kit
MBS9310397 | Bovine Coenzyme A ELISA Kit
MBS9310425 | Mouse Coenzyme A ELISA Kit
MBS3803200 | Human Propionyl Coenzyme A ELISA Kit
MBS3804446 | Human Coenzyme A ELISA Kit
MBS7254783 | Rat Acetyl Coenzyme A ELISA Kit
MBS7256491 | Rabbit Acetyl Coenzyme A ELISA Kit
MBS7258281 | Goat Acetyl Coenzyme A ELISA Kit
MBS7261418 | Canine Acetyl Coenzyme A ELISA Kit
MBS7263308 | Bovine Acetyl Coenzyme A ELISA Kit
MBS7265719 | Sheep Acetyl Coenzyme A ELISA Kit

coenzymea-3d.gif

Synonyms :
CoA
CoASH
COENZYME-A
COA
Config Rule :
% coenzymeA
config(coenzymeA,[
substituent('R-pantothenyl'),
substituent('3''-phospho-ADP-beta-yl'),
substituent('beta-mercaptoethylamino-N-yl'),
linkage(from('beta-mercaptoethylamino-N-yl',nit(1)),
to('R-pantothenyl',car(1)),
trans(car(2),car(2)),cn_resonant),
linkage(from('R-pantothenyl',oxy(4)),
to('3''-phospho-ADP-beta-yl',pho(3)),
right,single)]).

config('3''-phospho-ADP-beta-yl',[
substituent('D-1-dehydroxy-3-phospho-5-oxy-ribofuranosyl'),
substituent(adenyl),
substituent(diphosphopentaoxygen),
linkage(from('D-1-dehydroxy-3-phospho-5-oxy-ribofuranosyl',car(1)),
to(adenyl,nit(9)),
up,single),
linkage(from('D-1-dehydroxy-3-phospho-5-oxy-ribofuranosyl',attach_to([oxy,car(5)])),
to(diphosphopentaoxygen,pho(1)),
nil,single)]).

config('D-1-dehydroxy-3-phospho-5-oxy-ribofuranosyl',[
ring([
oxy,
anomeric(1,hyd),
car(2,hyd&&hydroxyl;),
car(3,hyd&&phosphate;),
car(4,oxymethyl&&hyd;)])]).

config(adenyl,[
model(adenine,[
diff(nit(9,hyd),nit(9))])]).

config(adenine,[
model(purine,[
diff(car(6,hyd),car(6,amine(10)))])]).

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)]))])]).
config('R-pantothenyl',[
chain([
car(1,oxy?),
car(2,hyd&&hyd;),
car(3,hyd&&hyd;),
nit(1,hyd)#,
car(4,oxy?),
car(5,hydroxyl&&hyd;),
car(6,methyl&&methyl;),
oxymethyl]),
trans(car(3),car(5),bond(nit(1),car(4)))]).

config('beta-mercaptoethylamino-N-yl',[
chain([
sul(1,hyd),
car(1,hyd&&hyd;),
car(2,hyd&&hyd;),
nit(1,hyd)])]).

Smiles String :
[C@2H2]([C@2H2]/[NH]=[C](/[C@2H2][C@2H2]/[NH]=[C](/[C@2H]([OH])[C@2]([CH3])([CH_
3])[C@2H2][O][P@2]([O][P@2](=[O])([O][C@2H2][C@1H]1([C@2H]([O][P@2](=[O])([O-])_
[O-])[C@2H]([OH])[C@2H]([O]1)-[n]1([cH][n][c]2([c]1[n][cH][n][c]2[NH2]))))[O-])_
([O-])=[O])\[O])\[O])[SH]
coenzymeA

Terminal :

% coenzymeA
c(1,12,(0,nonchiral))-[c(2,left)~,h(2,right)~,s(1,up)~,h(3,down)~],
c(2,12,(0,nonchiral))-[h(4,left)~,c(1,right)~,h(5,up)~,n(1,(down,isomeric(up)))~],
c(3,12,(0,nonchiral))-[c(4,(right,isomeric(up)))~,o(2,(nil,isomeric(down)))?,n(1,trans)#], c(4,12,(0,nonchiral))-[c(3,(left,isomeric(down)))~,c(5,right)~,h(8,up)~,h(7,down)~],
c(5,12,(0,nonchiral))-[c(4,left)~,h(9,right)~,h(10,up)~,n(2,(down,isomeric(up)))~],
c(6,12,(0,nonchiral))-[o(3,(nil,isomeric(down)))?,c(7,(down,isomeric(up)))~,n(2,trans)#], c(7,12,(0,chiral))-[o(1,left)~,h(12,right)~,c(6,(up,isomeric(down)))~,c(8,down)~],
c(8,12,(0,nonchiral))-[c(9,left)~,c(11,right)~,c(7,up)~,c(10,down)~],
c(9,12,(0,nonchiral))-[h(14,left)~,c(8,right)~,h(15,up)~,h(16,down)~],
c(10,12,(0,nonchiral))-[h(17,left)~,h(19,right)~,c(8,up)~,h(18,down)~],
c(11,12,(0,nonchiral))-[c(8,left)~,h(20,right)~,o(4,up)~,h(21,down)~],
c(12,12,(0,chiral))-[c(13,left)~,o(5,right)~,n(11,up)~,h(22,down)~],
c(13,12,(0,chiral))-[c(14,left)~,c(12,right)~,h(23,up)~,o(6,down)~],
c(14,12,(0,chiral))-[c(15,left)~,c(13,right)~,h(25,up)~,o(7,down)~],
c(15,12,(0,chiral))-[o(5,left)~,c(14,right)~,c(16,up)~,h(26,down)~],
c(16,12,(0,nonchiral))-[o(11,left)~,h(27,right)~,h(28,up)~,c(15,down)~],
c(17,12,(0,nonchiral))-[h(31,nil)~,n(5,flat)&,n(3,flat)&],
c(19,12,(0,nonchiral))-[n(5,flat)&,c(20,flat)&,n(11,flat)&],
c(20,12,(0,nonchiral))-[c(19,flat)&,c(21,flat)&,n(9,flat)&],
c(21,12,(0,nonchiral))-[n(12,nil)~,n(3,flat)&,c(20,flat)&],
c(23,12,(0,nonchiral))-[h(32,nil)~,n(9,flat)&,n(11,flat)&],
h(1,1,(0,nonchiral))-[s(1,nil)~],
h(2,1,(0,nonchiral))-[c(1,left)~],
h(3,1,(0,nonchiral))-[c(1,up)~],
h(4,1,(0,nonchiral))-[c(2,right)~],
h(5,1,(0,nonchiral))-[c(2,down)~],
h(6,1,(0,nonchiral))-[n(1,(nil,isomeric(down)))~],
h(7,1,(0,nonchiral))-[c(4,up)~],
h(8,1,(0,nonchiral))-[c(4,down)~],
h(9,1,(0,nonchiral))-[c(5,left)~],
h(10,1,(0,nonchiral))-[c(5,down)~],
h(11,1,(0,nonchiral))-[n(2,(nil,isomeric(down)))~],
h(12,1,(0,nonchiral))-[c(7,left)~],
h(13,1,(0,nonchiral))-[o(1,nil)~],
h(14,1,(0,nonchiral))-[c(9,right)~],
h(15,1,(0,nonchiral))-[c(9,down)~],
h(16,1,(0,nonchiral))-[c(9,up)~],
h(17,1,(0,nonchiral))-[c(10,right)~],
h(18,1,(0,nonchiral))-[c(10,up)~],
h(19,1,(0,nonchiral))-[c(10,left)~],
h(20,1,(0,nonchiral))-[c(11,left)~],
h(21,1,(0,nonchiral))-[c(11,up)~],
h(22,1,(0,nonchiral))-[c(12,up)~],
h(23,1,(0,nonchiral))-[c(13,down)~],
h(24,1,(0,nonchiral))-[o(6,nil)~],
h(25,1,(0,nonchiral))-[c(14,down)~],
h(26,1,(0,nonchiral))-[c(15,up)~],
h(27,1,(0,nonchiral))-[c(16,left)~],
h(28,1,(0,nonchiral))-[c(16,down)~],
h(29,1,(0,nonchiral))-[n(12,nil)~],
h(30,1,(0,nonchiral))-[n(12,nil)~],
h(31,1,(0,nonchiral))-[c(17,nil)~],
h(32,1,(0,nonchiral))-[c(23,nil)~],
n(1,14,(0,nonchiral))-[h(6,(nil,isomeric(up)))~,c(2,(up,isomeric(down)))~,c(3,trans)#], n(2,14,(0,nonchiral))-[h(11,(nil,isomeric(up)))~,c(5,(up,isomeric(down)))~,c(6,trans)#], n(3,14,(0,nonchiral))-[c(17,flat)&,c(21,flat)&],
n(5,14,(0,nonchiral))-[c(17,flat)&,c(19,flat)&],
n(9,14,(0,nonchiral))-[c(20,flat)&,c(23,flat)&],
n(11,14,(0,nonchiral))-[c(12,down)~,c(23,flat)&,c(19,flat)&],
n(12,14,(0,nonchiral))-[h(29,nil)~,h(30,nil)~,c(21,nil)~],
o(1,16,(0,nonchiral))-[h(13,nil)~,c(7,right)~],
o(2,16,(0,nonchiral))-[c(3,(nil,isomeric(up)))?],
o(3,16,(0,nonchiral))-[c(6,(nil,isomeric(up)))?],
o(4,16,(0,nonchiral))-[p(3,right)~,c(11,down)~],
o(5,16,(0,nonchiral))-[c(12,left)~,c(15,right)~],
o(6,16,(0,nonchiral))-[h(24,nil)~,c(13,up)~],
o(7,16,(0,nonchiral))-[p(1,right)~,c(14,up)~],
o(8,16,(-6.666666666666666E-01,nonchiral))-[p(1,left)?],
o(9,16,(-6.666666666666666E-01,nonchiral))-[p(1,up)?],
o(10,16,(-6.666666666666666E-01,nonchiral))-[p(1,down)?],
o(11,16,(0,nonchiral))-[c(16,right)~,p(2,up)~],
o(12,16,(0,nonchiral))-[p(3,left)~,p(2,right)~],
o(13,16,(-5.0E-01,nonchiral))-[p(2,left)?],
o(14,16,(-5.0E-01,nonchiral))-[p(2,down)?],
o(15,16,(-5.0E-01,nonchiral))-[p(3,up)?],
o(16,16,(-5.0E-01,nonchiral))-[p(3,down)?],
p(1,31,(0,nonchiral))-[o(7,left)~,o(8,right)?,o(10,up)?,o(9,down)?],
p(2,31,(0,nonchiral))-[o(12,left)~,o(13,right)?,o(14,up)?,o(11,down)~],
p(3,31,(0,nonchiral))-[o(4,left)~,o(12,right)~,o(16,up)?,o(15,down)?],
s(1,32,(0,nonchiral))-[h(1,nil)~,c(1,down)~]

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 coenzymeA. 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!