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Magnesium in PDB 5k1i: PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
Enzymatic activity of PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
All present enzymatic activity of PDE4 Crystal Structure in Complex with Small Molecule Inhibitor:
3.1.4.53;
3.1.4.53;
Protein crystallography data
The structure of PDE4 Crystal Structure in Complex with Small Molecule Inhibitor, PDB code: 5k1i
was solved by
V.Segarra,
B.Hernandez,
N.Ferrer-Miralles,
I.Korndoerfer,
J.Aymami,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 25.00 / 2.61 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 61.444, 78.347, 161.756, 91.01, 92.79, 90.08 |
| R / Rfree (%) | 19.1 / 25.8 |
Other elements in 5k1i:
The structure of PDE4 Crystal Structure in Complex with Small Molecule Inhibitor also contains other interesting chemical elements:
| Zinc | (Zn) | 8 atoms |
Magnesium Binding Sites:
The binding sites of Magnesium atom in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
(pdb code 5k1i). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor, PDB code: 5k1i:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
In total 8 binding sites of Magnesium where determined in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor, PDB code: 5k1i:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
Magnesium binding site 1 out of 8 in 5k1i
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Magnesium Binding Sites List in 5k1i
Magnesium binding site 1 out
of 8 in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
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 PDE4 Crystal Structure in Complex with Small Molecule Inhibitor within 5.0Å range:
|
Magnesium binding site 2 out of 8 in 5k1i
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Magnesium Binding Sites List in 5k1i
Magnesium binding site 2 out
of 8 in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
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 PDE4 Crystal Structure in Complex with Small Molecule Inhibitor within 5.0Å range:
|
Magnesium binding site 3 out of 8 in 5k1i
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Magnesium Binding Sites List in 5k1i
Magnesium binding site 3 out
of 8 in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
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 3 of PDE4 Crystal Structure in Complex with Small Molecule Inhibitor within 5.0Å range:
|
Magnesium binding site 4 out of 8 in 5k1i
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Magnesium Binding Sites List in 5k1i
Magnesium binding site 4 out
of 8 in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
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 4 of PDE4 Crystal Structure in Complex with Small Molecule Inhibitor within 5.0Å range:
|
Magnesium binding site 5 out of 8 in 5k1i
Go back to
Magnesium Binding Sites List in 5k1i
Magnesium binding site 5 out
of 8 in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
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 5 of PDE4 Crystal Structure in Complex with Small Molecule Inhibitor within 5.0Å range:
|
Magnesium binding site 6 out of 8 in 5k1i
Go back to
Magnesium Binding Sites List in 5k1i
Magnesium binding site 6 out
of 8 in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
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 6 of PDE4 Crystal Structure in Complex with Small Molecule Inhibitor within 5.0Å range:
|
Magnesium binding site 7 out of 8 in 5k1i
Go back to
Magnesium Binding Sites List in 5k1i
Magnesium binding site 7 out
of 8 in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
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 7 of PDE4 Crystal Structure in Complex with Small Molecule Inhibitor within 5.0Å range:
|
Magnesium binding site 8 out of 8 in 5k1i
Go back to
Magnesium Binding Sites List in 5k1i
Magnesium binding site 8 out
of 8 in the PDE4 Crystal Structure in Complex with Small Molecule Inhibitor
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 8 of PDE4 Crystal Structure in Complex with Small Molecule Inhibitor within 5.0Å range:
|
Reference:
J.Gracia,
M.A.Buil,
J.Castro,
P.Eichhorn,
M.Ferrer,
A.Gavalda,
B.Hernandez,
V.Segarra,
M.D.Lehner,
I.Moreno,
L.Pages,
R.S.Roberts,
J.Serrat,
S.Sevilla,
J.Taltavull,
M.Andres,
J.Cabedo,
D.Vilella,
E.Calama,
C.Carcasona,
M.Miralpeix.
Biphenyl Pyridazinone Derivatives As Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships. J. Med. Chem. V. 59 10479 2016.
ISSN: ISSN 1520-4804
PubMed: 27933955
DOI: 10.1021/ACS.JMEDCHEM.6B00829
Page generated: Sun Sep 29 18:49:53 2024
ISSN: ISSN 1520-4804
PubMed: 27933955
DOI: 10.1021/ACS.JMEDCHEM.6B00829
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