Zinc in PDB 6njj: Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
Enzymatic activity of Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
All present enzymatic activity of Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770:
3.1.4.53;
3.1.4.53;
Protein crystallography data
The structure of Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770, PDB code: 6njj
was solved by
D.Fox Iii,
J.W.Fairman,
M.E.Gurney,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.49 / 2.30 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 81.330, 82.050, 116.350, 90.00, 110.01, 90.00 |
| R / Rfree (%) | 16.7 / 21.4 |
Other elements in 6njj:
The structure of Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 also contains other interesting chemical elements:
| Fluorine | (F) | 12 atoms |
| Magnesium | (Mg) | 4 atoms |
| Chlorine | (Cl) | 4 atoms |
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
(pdb code 6njj). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770, PDB code: 6njj:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Zinc where determined in the Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770, PDB code: 6njj:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;
Zinc binding site 1 out of 6 in 6njj
Go back to
Zinc Binding Sites List in 6njj
Zinc binding site 1 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
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 Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 within 5.0Å range:
|
Zinc binding site 2 out of 6 in 6njj
Go back to
Zinc Binding Sites List in 6njj
Zinc binding site 2 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
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 Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 within 5.0Å range:
|
Zinc binding site 3 out of 6 in 6njj
Go back to
Zinc Binding Sites List in 6njj
Zinc binding site 3 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
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 Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 within 5.0Å range:
|
Zinc binding site 4 out of 6 in 6njj
Go back to
Zinc Binding Sites List in 6njj
Zinc binding site 4 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
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 4 of Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 within 5.0Å range:
|
Zinc binding site 5 out of 6 in 6njj
Go back to
Zinc Binding Sites List in 6njj
Zinc binding site 5 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
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 5 of Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 within 5.0Å range:
|
Zinc binding site 6 out of 6 in 6njj
Go back to
Zinc Binding Sites List in 6njj
Zinc binding site 6 out
of 6 in the Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770
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 6 of Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 within 5.0Å range:
|
Reference:
M.E.Gurney,
R.A.Nugent,
X.Mo,
J.A.Sindac,
T.J.Hagen,
D.Fox 3Rd,
J.M.O'donnell,
C.Zhang,
Y.Xu,
H.T.Zhang,
V.E.Groppi,
M.Bailie,
R.E.White,
D.L.Romero,
A.S.Vellekoop,
J.R.Walker,
M.D.Surman,
L.Zhu,
R.F.Campbell.
Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors For the Treatment of Fragile X Syndrome and Other Brain Disorders. J.Med.Chem. V. 62 4884 2019.
ISSN: ISSN 0022-2623
PubMed: 31013090
DOI: 10.1021/ACS.JMEDCHEM.9B00193
Page generated: Wed Dec 16 12:23:58 2020
ISSN: ISSN 0022-2623
PubMed: 31013090
DOI: 10.1021/ACS.JMEDCHEM.9B00193
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