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Zinc in PDB 4ynd: The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
Enzymatic activity of The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
All present enzymatic activity of The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2:
2.1.1.43;
2.1.1.43;
Protein crystallography data
The structure of The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2, PDB code: 4ynd
was solved by
R.F.Sweis,
Z.Wang,
M.Algire,
C.H.Arrowsmith,
P.J.Brown,
G.C.Chiang,
J.Guo,
C.G.Jakob,
S.Kennedy,
F.Li,
N.B.Soni,
M.Vedadi,
W.N.Pappano,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.67 / 2.79 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 52.796, 71.301, 118.930, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 19.8 / 25.3 |
Other elements in 4ynd:
The structure of The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2 also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Zinc Binding Sites:
The binding sites of Zinc atom in the The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
(pdb code 4ynd). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2, PDB code: 4ynd:
Jump to Zinc binding site number: 1; 2; 3;
In total 3 binding sites of Zinc where determined in the The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2, PDB code: 4ynd:
Jump to Zinc binding site number: 1; 2; 3;
Zinc binding site 1 out of 3 in 4ynd
Go back to
Zinc Binding Sites List in 4ynd
Zinc binding site 1 out
of 3 in the The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2 within 5.0Å range:
|
Zinc binding site 2 out of 3 in 4ynd
Go back to
Zinc Binding Sites List in 4ynd
Zinc binding site 2 out
of 3 in the The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2 within 5.0Å range:
|
Zinc binding site 3 out of 3 in 4ynd
Go back to
Zinc Binding Sites List in 4ynd
Zinc binding site 3 out
of 3 in the The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2 within 5.0Å range:
|
Reference:
R.F.Sweis,
Z.Wang,
M.Algire,
C.H.Arrowsmith,
P.J.Brown,
G.C.Chiang,
J.Guo,
C.G.Jakob,
S.Kennedy,
F.Li,
N.B.Soni,
M.Vedadi,
W.N.Pappano.
The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2 Acs Med.Chem.Lett. 2015.
ISSN: ISSN 0022-2623
DOI: 10.1021/ACSMEDCHEMLETT.5B00124
Page generated: Sun Oct 27 11:19:51 2024
ISSN: ISSN 0022-2623
DOI: 10.1021/ACSMEDCHEMLETT.5B00124
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