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Magnesium in PDB 3r21: Design, Synthesis, and Biological Evaluation of Pyrazolopyridine- Sulfonamides As Potent Multiple-Mitotic Kinase (Mmk) Inhibitors (Part I)

Enzymatic activity of Design, Synthesis, and Biological Evaluation of Pyrazolopyridine- Sulfonamides As Potent Multiple-Mitotic Kinase (Mmk) Inhibitors (Part I)

All present enzymatic activity of Design, Synthesis, and Biological Evaluation of Pyrazolopyridine- Sulfonamides As Potent Multiple-Mitotic Kinase (Mmk) Inhibitors (Part I):
2.7.11.1;

Protein crystallography data

The structure of Design, Synthesis, and Biological Evaluation of Pyrazolopyridine- Sulfonamides As Potent Multiple-Mitotic Kinase (Mmk) Inhibitors (Part I), PDB code: 3r21 was solved by L.Zhang, J.Fan, J.-H.Chong, A.Cesena, B.Tam, C.Gilson, C.Boykin, D.Wang, D.Marcotte, J.-Y.Le Brazidec, D.Aivazian, J.Piao, K.Lundgren, K.Hong, K.Vu, K.Nguyen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.90
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 82.210, 82.210, 165.700, 90.00, 90.00, 120.00
R / Rfree (%) 25.8 / 30.5

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Design, Synthesis, and Biological Evaluation of Pyrazolopyridine- Sulfonamides As Potent Multiple-Mitotic Kinase (Mmk) Inhibitors (Part I) (pdb code 3r21). 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 Design, Synthesis, and Biological Evaluation of Pyrazolopyridine- Sulfonamides As Potent Multiple-Mitotic Kinase (Mmk) Inhibitors (Part I), PDB code: 3r21:

Magnesium binding site 1 out of 1 in 3r21

Go back to Magnesium Binding Sites List in 3r21
Magnesium binding site 1 out of 1 in the Design, Synthesis, and Biological Evaluation of Pyrazolopyridine- Sulfonamides As Potent Multiple-Mitotic Kinase (Mmk) Inhibitors (Part I)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Design, Synthesis, and Biological Evaluation of Pyrazolopyridine- Sulfonamides As Potent Multiple-Mitotic Kinase (Mmk) Inhibitors (Part I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg392

b:90.5
occ:1.00
 OE1 A:GLU181 2.5 0.9 1.0
CA A:GLY276 3.6 92.3 1.0
CD A:GLU181 3.8 0.9 1.0
O A:GLN177 4.0 0.5 1.0
CD1 A:LEU178 4.3 0.0 1.0
CB A:GLU181 4.3 0.9 1.0
CA A:LEU178 4.4 0.2 1.0
N A:GLY276 4.4 89.6 1.0
C A:GLN177 4.5 1.0 1.0
OD2 A:ASP274 4.6 90.3 1.0
C A:GLY276 4.6 93.8 1.0
OE2 A:GLU181 4.7 0.8 1.0
CG A:GLU181 4.7 0.6 1.0
N A:LEU178 4.7 1.0 1.0
CB A:LEU178 4.8 0.8 1.0
CB A:GLN177 5.0 0.7 1.0

Reference:

L.Zhang, J.Fan, J.H.Chong, A.Cesena, B.Y.Tam, C.Gilson, C.Boykin, D.Wang, D.Aivazian, D.Marcotte, G.Xiao, J.Y.Le Brazidec, J.Piao, K.Lundgren, K.Hong, K.Vu, K.Nguyen, L.S.Gan, L.Silvian, L.Ling, M.Teng, M.Reff, N.Takeda, N.Timple, Q.Wang, R.Morena, S.Khan, S.Zhao, T.Li, W.C.Lee, A.G.Taveras, J.Chao. Design, Synthesis, and Biological Evaluation of Pyrazolopyrimidine-Sulfonamides As Potent Multiple-Mitotic Kinase (Mmk) Inhibitors (Part I). Bioorg.Med.Chem.Lett. V. 21 5633 2011.
ISSN: ISSN 0960-894X
PubMed: 21798738
DOI: 10.1016/J.BMCL.2011.06.129
Page generated: Thu Aug 15 10:15:58 2024

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