Magnesium in PDB 3cob: Structural Dynamics of the Microtubule Binding and Regulatory Elements in the Kinesin-Like Calmodulin Binding Protein

The structure of Structural Dynamics of the Microtubule Binding and Regulatory Elements in the Kinesin-Like Calmodulin Binding Protein, PDB code: 3cob was solved by M.V.Vinogradova, G.G.Malanina, V.Reddy, A.S.N.Reddy, R.J.Fletterick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	98.152, 84.907, 89.661, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 26.7

The binding sites of Magnesium atom in the Structural Dynamics of the Microtubule Binding and Regulatory Elements in the Kinesin-Like Calmodulin Binding Protein (pdb code 3cob). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structural Dynamics of the Microtubule Binding and Regulatory Elements in the Kinesin-Like Calmodulin Binding Protein, PDB code: 3cob:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structural Dynamics of the Microtubule Binding and Regulatory Elements in the Kinesin-Like Calmodulin Binding Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Dynamics of the Microtubule Binding and Regulatory Elements in the Kinesin-Like Calmodulin Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:19.3 occ:1.00 OG1 A:THR977 2.2 11.8 1.0 O A:HOH4 2.3 23.0 1.0 O3B A:ADP600 2.3 21.2 1.0 O A:HOH2 2.4 5.8 1.0 O A:HOH1 2.4 8.7 1.0 O A:HOH3 2.4 25.6 1.0 CB A:THR977 3.1 14.0 1.0 PB A:ADP600 3.7 16.1 1.0 O A:ARG1075 3.7 30.6 1.0 OD2 A:ASP1116 3.9 20.6 1.0 O1B A:ADP600 3.9 22.0 1.0 O A:HOH128 4.0 25.7 1.0 N A:THR977 4.0 15.7 1.0 CA A:THR977 4.1 14.0 1.0 CG2 A:THR977 4.1 1.2 1.0 OD1 A:ASP1116 4.2 16.1 1.0 O A:SER1086 4.2 25.7 1.0 O A:HOH53 4.2 19.2 1.0 NE A:ARG1075 4.4 20.8 1.0 CB A:ARG1075 4.4 24.5 1.0 CG A:ASP1116 4.5 21.7 1.0 O2A A:ADP600 4.5 20.0 1.0 NH2 A:ARG1075 4.5 18.0 1.0 CG2 A:THR1077 4.6 32.2 1.0 O3A A:ADP600 4.6 19.8 1.0 O A:HOH24 4.6 20.7 1.0 C A:ARG1075 4.6 29.5 1.0 O1A A:ADP600 4.7 27.1 1.0 O2B A:ADP600 4.7 14.3 1.0 CZ A:ARG1075 4.7 19.9 1.0 PA A:ADP600 4.8 22.7 1.0 CA A:ARG1075 5.0 27.1 1.0

Magnesium binding site 2 out of 2 in the Structural Dynamics of the Microtubule Binding and Regulatory Elements in the Kinesin-Like Calmodulin Binding Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Dynamics of the Microtubule Binding and Regulatory Elements in the Kinesin-Like Calmodulin Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:18.1 occ:1.00 OG1 C:THR977 2.3 20.2 1.0 O C:HOH7 2.4 10.9 1.0 O C:HOH6 2.4 12.3 1.0 O C:HOH87 2.4 31.8 1.0 O3B C:ADP600 2.4 16.5 1.0 O C:HOH5 2.4 13.5 1.0 CB C:THR977 3.3 10.5 1.0 O1B C:ADP600 3.3 21.7 1.0 PB C:ADP600 3.5 16.0 1.0 O C:SER1086 3.7 19.7 1.0 O C:HOH89 3.9 15.5 1.0 OD1 C:ASP1116 4.0 28.6 1.0 OD2 C:ASP1116 4.1 10.1 1.0 N C:THR977 4.1 12.1 1.0 O C:HOH57 4.2 31.6 1.0 CA C:THR977 4.2 12.0 1.0 O C:ARG1075 4.3 39.2 1.0 O C:HOH152 4.4 27.3 1.0 CG2 C:THR977 4.4 1.0 1.0 CG C:ASP1116 4.5 12.3 1.0 O3A C:ADP600 4.5 21.1 1.0 NH2 C:ARG1075 4.5 13.2 1.0 O2B C:ADP600 4.6 23.5 1.0 NE C:ARG1075 4.7 25.0 1.0 O2A C:ADP600 4.7 23.3 1.0 C C:SER1086 4.8 19.9 1.0 CB C:ARG1075 4.8 32.2 1.0 CZ C:ARG1075 4.9 18.9 1.0 O C:HOH8 4.9 9.8 1.0 NZ C:LYS976 4.9 17.2 1.0 PA C:ADP600 5.0 19.9 1.0 O1A C:ADP600 5.0 25.4 1.0

M.V.Vinogradova, G.G.Malanina, V.S.Reddy, A.S.Reddy, R.J.Fletterick. Structural Dynamics of the Microtubule Binding and Regulatory Elements in the Kinesin-Like Calmodulin Binding Protein. J.Struct.Biol. V. 163 76 2008.
ISSN: ISSN 1047-8477
PubMed: 18513992
DOI: 10.1016/J.JSB.2008.04.004