 |
PDBsum entry 5cts
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Oxo-acid-lyase
|
PDB id
|
|
|
|
5cts
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
References listed in PDB file
|
|
|
Key reference
|
|
|
Title
|
|
Proposed mechanism for the condensation reaction of citrate synthase: 1.9-A structure of the ternary complex with oxaloacetate and carboxymethyl coenzyme a.
|
|
|
Authors
|
|
M.Karpusas,
B.Branchaud,
S.J.Remington.
|
|
|
Ref.
|
|
Biochemistry, 1990,
29,
2213-2219.
[DOI no: ]
|
|
|
PubMed id
|
|
|
|
|
|
Abstract
|
|
|
The crystal structure of the ternary complex citrate
synthase-oxaloacetate-carboxymethyl coenzyme A has been solved to a resolution
of 1.9 A and refined to a conventional crystallographic R factor of 0.185. The
structure resembles a proposed transition state of the condensation reaction and
suggests that the condensation reaction proceeds through a neutral enol rather
than an enolate intermediate. A mechanism for the condensation reaction is
proposed which involves the participation of three key catalytic groups (Asp
375, His 274, and His 320) in two distinct steps. The proposed mechanism invokes
concerted general acid-base catalysis twice to explain both the energetics of
the reaction and the experimentally observed inversion of stereochemistry at the
attacking carbon atom.
|
|
|
Secondary reference #1
|
|
|
Title
|
|
Crystal structure analysis and molecular model of a complex of citrate synthase with oxaloacetate and s-Acetonyl-Coenzyme a.
|
|
|
Authors
|
|
G.Wiegand,
S.Remington,
J.Deisenhofer,
R.Huber.
|
|
|
Ref.
|
|
J Mol Biol, 1984,
174,
205-219.
[DOI no: ]
|
|
|
PubMed id
|
|
|
|
|
|
|
|
|
|
|
|
Figure 2.
FIG. 2. The small omains of the closed form (C2) and the closed form (P4,2,2) are optimally
superimposed and shown in the stereo diagram. The conformations also differ substantially for internal
residues as ndicated specifically for some residues.
|
|
|
|
|
|
The above figure is
reproduced from the cited reference
with permission from Elsevier
|
|
|
Secondary reference #2
|
|
|
Title
|
|
Crystallographic refinement and atomic models of two different forms of citrate synthase at 2.7 and 1.7 a resolution.
|
|
|
Authors
|
|
S.Remington,
G.Wiegand,
R.Huber.
|
|
|
Ref.
|
|
J Mol Biol, 1982,
158,
111-152.
[DOI no: ]
|
|
|
PubMed id
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Figure 1.
BVIE
|
|
Figure 19.
FIG. 19. Stereo drawing of the citryl-thioether-CoA analogue ((XC%NPH6) difference Fourier map
superimposed on the monoclinic model. Contours are at +49 e. with negative contours dashed. The
Figure is discussd in the text.
|
|
|
|
|
|
The above figures are
reproduced from the cited reference
with permission from Elsevier
|
|
|
Secondary reference #3
|
|
|
Title
|
|
Primary structure of porcine heart citrate synthase.
|
|
|
Authors
|
|
D.P.Bloxham,
D.C.Parmelee,
S.Kumar,
R.D.Wade,
L.H.Ericsson,
H.Neurath,
K.A.Walsh,
K.Titani.
|
|
|
Ref.
|
|
Proc Natl Acad Sci U S A, 1981,
78,
5381-5385.
[DOI no: ]
|
|
|
PubMed id
|
|
|
|
|
|
|
|
|
Secondary reference #4
|
|
|
Title
|
|
Crystal structure analysis of the tetragonal crystal form are preliminary molecular model of pig-Heart citrate synthase.
|
|
|
Authors
|
|
G.Wiegand,
D.Kukla,
H.Scholze,
T.A.Jones,
R.Huber.
|
|
|
Ref.
|
|
Eur J Biochem, 1979,
93,
41-50.
|
|
|
PubMed id
|
|
|
|
|
|
|
|
|
|
|
|
|
