Magnesium in PDB 3kta: Structural Basis For Adenylate Kinase Activity in Abc Atpases

The structure of Structural Basis For Adenylate Kinase Activity in Abc Atpases, PDB code: 3kta was solved by A.Lammens, K.P.Hopfner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.44 / 1.63
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.000, 86.100, 70.100, 90.00, 116.60, 90.00
R / Rfree (%)	17.6 / 20.6

The binding sites of Magnesium atom in the Structural Basis For Adenylate Kinase Activity in Abc Atpases (pdb code 3kta). 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 Basis For Adenylate Kinase Activity in Abc Atpases, PDB code: 3kta:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structural Basis For Adenylate Kinase Activity in Abc Atpases


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Basis For Adenylate Kinase Activity in Abc Atpases within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg184 b:14.3 occ:1.00 O2G A:AP5183 2.1 15.1 1.0 OE1 A:GLN145 2.1 16.3 1.0 O B:HOH2 2.1 13.0 1.0 OG A:SER40 2.1 12.3 1.0 O2D A:AP5183 2.1 14.1 1.0 O A:HOH186 2.2 16.0 1.0 CD A:GLN145 3.1 17.3 1.0 CB A:SER40 3.2 15.4 1.0 PG A:AP5183 3.2 20.4 1.0 PD A:AP5183 3.3 15.4 1.0 O3G A:AP5183 3.6 18.2 1.0 NE2 A:GLN145 3.6 17.0 1.0 N7A A:AP5183 3.9 18.8 1.0 O3B A:AP5183 3.9 20.6 1.0 N A:SER40 3.9 13.6 1.0 OD2 B:ASP1097 4.0 15.3 1.0 OE1 B:GLU1098 4.1 16.1 1.0 CA A:SER40 4.1 13.6 1.0 OD1 B:ASP1097 4.1 12.3 0.9 N6A A:AP5183 4.2 18.5 1.0 O2E A:AP5183 4.2 14.1 1.0 O1D A:AP5183 4.4 14.7 1.0 O3D A:AP5183 4.4 16.5 1.0 CG A:GLN145 4.4 16.9 1.0 O1G A:AP5183 4.5 24.9 1.0 CG B:ASP1097 4.5 13.7 1.0 C5A A:AP5183 4.5 19.3 1.0 C8A A:AP5183 4.6 21.4 1.0 CB A:GLN145 4.7 15.2 1.0 PE A:AP5183 4.7 15.4 1.0 O A:HOH196 4.7 17.6 1.0 C6A A:AP5183 4.8 20.5 1.0 O1E A:AP5183 4.9 16.5 1.0

Magnesium binding site 2 out of 2 in the Structural Basis For Adenylate Kinase Activity in Abc Atpases


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Basis For Adenylate Kinase Activity in Abc Atpases within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg184 b:13.5 occ:1.00 OE1 C:GLN145 2.1 15.7 1.0 O2G C:AP5183 2.1 15.6 1.0 OG C:SER40 2.1 12.8 1.0 O C:HOH185 2.1 14.7 1.0 O2B C:AP5183 2.1 14.2 1.0 O D:HOH3 2.1 14.1 1.0 CD C:GLN145 3.1 17.7 1.0 CB C:SER40 3.2 16.0 1.0 PG C:AP5183 3.2 33.1 1.0 PB C:AP5183 3.3 15.4 1.0 O3B C:AP5183 3.6 18.4 1.0 NE2 C:GLN145 3.6 26.3 1.0 N C:SER40 3.9 11.5 1.0 OD2 D:ASP1097 4.0 12.4 0.9 O C:HOH466 4.1 20.6 1.0 CA C:SER40 4.1 13.2 1.0 O2A C:AP5183 4.1 18.5 1.0 O3G C:AP5183 4.2 38.3 1.0 OE2 D:GLU1098 4.2 18.9 0.9 OD1 D:ASP1097 4.2 14.7 1.0 O C:HOH515 4.2 30.0 1.0 O3A C:AP5183 4.2 17.1 1.0 O1G C:AP5183 4.4 37.3 1.0 CG C:GLN145 4.4 16.1 1.0 O1B C:AP5183 4.4 16.6 1.0 O C:HOH522 4.5 24.1 1.0 CG D:ASP1097 4.6 13.2 0.8 PA C:AP5183 4.6 17.1 1.0 CB C:GLN145 4.6 13.5 1.0 CD D:GLU1098 4.8 18.4 0.9 O2D C:AP5183 4.9 43.5 1.0 O1A C:AP5183 4.9 15.9 1.0 O C:HOH689 5.0 34.5 1.0

A.Lammens, K.P.Hopfner. Structural Basis For Adenylate Kinase Activity in Abc Atpases. J.Mol.Biol. V. 401 265 2010.
ISSN: ISSN 0022-2836
PubMed: 20600125
DOI: 10.1016/J.JMB.2010.06.029