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Magnesium in PDB 4xue: Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B
Enzymatic activity of Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B
All present enzymatic activity of Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B, PDB code: 4xue
was solved by
T.Allison,
S.Wolkenberg,
J.M.Sanders,
S.M.Soisson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 49.57 / 2.30 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 55.043, 113.190, 113.818, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 19.8 / 22.9 |
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B
(pdb code 4xue). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B, PDB code: 4xue:
Jump to Magnesium binding site number: 1; 2;
In total 2 binding sites of Magnesium where determined in the Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B, PDB code: 4xue:
Jump to Magnesium binding site number: 1; 2;
Magnesium binding site 1 out of 2 in 4xue
Go back to
Magnesium Binding Sites List in 4xue
Magnesium binding site 1 out
of 2 in the Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B within 5.0Å range:
|
Magnesium binding site 2 out of 2 in 4xue
Go back to
Magnesium Binding Sites List in 4xue
Magnesium binding site 2 out
of 2 in the Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt): Structure with CMPD27B within 5.0Å range:
|
Reference:
S.T.Harrison,
M.S.Poslusney,
J.J.Mulhearn,
Z.Zhao,
N.R.Kett,
J.W.Schubert,
J.Y.Melamed,
T.J.Allison,
S.B.Patel,
J.M.Sanders,
S.Sharma,
R.F.Smith,
D.L.Hall,
R.G.Robinson,
N.A.Sachs,
P.H.Hutson,
S.E.Wolkenberg,
J.C.Barrow.
Synthesis and Evaluation of Heterocyclic Catechol Mimics As Inhibitors of Catechol-O-Methyltransferase (Comt). Acs Med.Chem.Lett. V. 6 318 2015.
ISSN: ISSN 1948-5875
PubMed: 25815153
DOI: 10.1021/ML500502D
Page generated: Mon Dec 14 19:48:27 2020
ISSN: ISSN 1948-5875
PubMed: 25815153
DOI: 10.1021/ML500502D
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