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Magnesium in PDB 3o57: Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with A 5- Heterocycle Pyrazolopyridine Inhibitor

Enzymatic activity of Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with A 5- Heterocycle Pyrazolopyridine Inhibitor

All present enzymatic activity of Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with A 5- Heterocycle Pyrazolopyridine Inhibitor:
3.1.4.17;

Protein crystallography data

The structure of Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with A 5- Heterocycle Pyrazolopyridine Inhibitor, PDB code: 3o57 was solved by D.O.Somers, M.Neu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group I 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 88.622, 94.907, 105.853, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 24

Other elements in 3o57:

The structure of Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with A 5- Heterocycle Pyrazolopyridine Inhibitor also contains other interesting chemical elements:

Arsenic (As) 4 atoms
Zinc (Zn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with A 5- Heterocycle Pyrazolopyridine Inhibitor (pdb code 3o57). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with A 5- Heterocycle Pyrazolopyridine Inhibitor, PDB code: 3o57:

Magnesium binding site 1 out of 1 in 3o57

Go back to Magnesium Binding Sites List in 3o57
Magnesium binding site 1 out of 1 in the Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with A 5- Heterocycle Pyrazolopyridine Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with A 5- Heterocycle Pyrazolopyridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg504

b:23.2
occ:1.00
 O A:HOH75 2.0 26.5 1.0
OD1 A:ASP275 2.1 22.4 1.0
O A:HOH71 2.1 26.9 1.0
O A:HOH72 2.1 25.3 1.0
O A:HOH69 2.2 24.3 1.0
O A:HOH70 2.3 24.1 1.0
CG A:ASP275 3.1 19.9 1.0
OD2 A:ASP275 3.5 19.2 1.0
ZN A:ZN1 3.9 27.5 1.0
O A:HOH14 4.0 25.6 1.0
OE2 A:GLU304 4.0 24.7 1.0
NE2 A:HIS307 4.1 15.4 1.0
OG1 A:THR345 4.2 25.1 1.0
O A:HIS274 4.2 21.7 1.0
CD2 A:HIS274 4.2 22.3 1.0
O A:HOH516 4.3 30.5 1.0
CD2 A:HIS307 4.4 18.9 1.0
CB A:ASP275 4.5 18.3 1.0
O A:HOH104 4.5 37.4 1.0
NE2 A:HIS274 4.6 19.4 1.0
CD2 A:HIS278 4.6 22.2 1.0
OD2 A:ASP392 4.6 27.1 1.0
O A:THR345 4.7 28.0 1.0
CA A:ASP275 4.8 17.3 1.0
CG A:GLU304 4.8 26.6 1.0
O12 A:ZG2506 4.8 30.2 0.7
CB A:THR345 4.8 28.4 1.0
NE2 A:HIS234 4.8 30.4 1.0
CD2 A:HIS234 4.8 32.1 1.0
CD A:GLU304 4.9 25.0 1.0
C11 A:ZG2506 4.9 31.9 0.7
NE2 A:HIS278 5.0 24.3 1.0
O A:HOH15 5.0 37.0 1.0
C A:HIS274 5.0 20.5 1.0

Reference:

C.J.Mitchell, S.P.Ballantine, D.M.Coe, C.M.Cook, C.J.Delves, M.D.Dowle, C.D.Edlin, J.N.Hamblin, S.Holman, M.R.Johnson, P.S.Jones, S.E.Keeling, M.Kranz, M.Lindvall, F.S.Lucas, M.Neu, Y.E.Solanke, D.O.Somers, N.A.Trivedi, J.O.Wiseman. Pyrazolopyridines As Potent PDE4B Inhibitors: 5-Heterocycle Sar. Bioorg.Med.Chem.Lett. V. 20 5803 2010.
ISSN: ISSN 0960-894X
PubMed: 20732811
DOI: 10.1016/J.BMCL.2010.07.136
Page generated: Thu Aug 15 08:11:31 2024

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