Magnesium in PDB 3ta2: A. Fulgidus GLNK3, Mgatp/2-Og Complex

The structure of A. Fulgidus GLNK3, Mgatp/2-Og Complex, PDB code: 3ta2 was solved by S.Maier, P.Schleberger, W.Lue, T.Wacker, T.Pflueger, C.Litz, S.L.A.Andrade, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.73 / 1.90
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.220, 79.220, 223.140, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 19.7

The structure of A. Fulgidus GLNK3, Mgatp/2-Og Complex also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Magnesium atom in the A. Fulgidus GLNK3, Mgatp/2-Og Complex (pdb code 3ta2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the A. Fulgidus GLNK3, Mgatp/2-Og Complex, PDB code: 3ta2:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the A. Fulgidus GLNK3, Mgatp/2-Og Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A. Fulgidus GLNK3, Mgatp/2-Og Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg119 b:7.0 occ:1.00 O2B A:ATP121 2.0 10.1 1.0 O2G A:ATP121 2.0 11.0 1.0 O1A A:ATP121 2.1 10.1 1.0 OE1 A:GLN39 2.1 16.3 1.0 O2 A:AKG120 2.1 14.1 1.0 O5 A:AKG120 2.2 14.3 1.0 C1 A:AKG120 2.9 14.9 1.0 C2 A:AKG120 3.0 15.1 1.0 PB A:ATP121 3.1 11.3 1.0 PG A:ATP121 3.1 12.4 1.0 PA A:ATP121 3.2 10.3 1.0 CD A:GLN39 3.2 19.9 1.0 O3A A:ATP121 3.4 9.5 1.0 O3B A:ATP121 3.4 10.0 1.0 O1G A:ATP121 3.7 12.7 1.0 N A:GLY87 3.7 10.7 1.0 NE2 A:GLN39 3.8 14.0 1.0 O1 A:AKG120 4.0 14.4 1.0 N A:GLU38 4.1 10.6 1.0 O2A A:ATP121 4.1 9.7 1.0 CA A:GLY37 4.1 10.0 1.0 CA A:GLY87 4.2 9.9 1.0 N A:GLN39 4.2 11.2 1.0 O A:HOH150 4.2 8.8 1.0 O3G A:ATP121 4.3 10.0 1.0 C A:GLY37 4.4 14.5 1.0 CB A:PHE86 4.4 14.1 1.0 O1B A:ATP121 4.4 12.2 1.0 O5' A:ATP121 4.5 10.1 1.0 C A:PHE86 4.5 14.8 1.0 CG A:GLN39 4.5 14.1 1.0 C3 A:AKG120 4.5 14.4 1.0 N A:GLY37 4.5 9.7 1.0 CB A:GLN39 4.6 13.2 1.0 CA A:PHE86 4.6 12.4 1.0 CA A:GLU38 4.9 11.7 1.0

Magnesium binding site 2 out of 3 in the A. Fulgidus GLNK3, Mgatp/2-Og Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A. Fulgidus GLNK3, Mgatp/2-Og Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg119 b:4.9 occ:1.00 O1B B:ATP121 2.0 10.0 1.0 O2G B:ATP121 2.1 10.5 1.0 O2 B:AKG120 2.1 11.6 1.0 OE1 B:GLN39 2.1 12.6 1.0 O1A B:ATP121 2.1 9.2 1.0 O5 B:AKG120 2.2 12.6 1.0 C1 B:AKG120 2.9 12.8 1.0 C2 B:AKG120 2.9 13.2 1.0 PB B:ATP121 3.1 10.1 1.0 PG B:ATP121 3.2 12.4 1.0 PA B:ATP121 3.2 10.1 1.0 CD B:GLN39 3.3 22.8 1.0 O3A B:ATP121 3.4 9.7 1.0 O3B B:ATP121 3.5 11.9 1.0 O3G B:ATP121 3.7 10.7 1.0 N B:GLY87 3.8 10.2 1.0 NE2 B:GLN39 3.9 13.3 1.0 N B:GLU38 3.9 7.9 1.0 CA B:GLY37 4.1 8.1 1.0 O2A B:ATP121 4.1 11.0 1.0 O1 B:AKG120 4.1 12.2 1.0 N B:GLN39 4.1 8.3 1.0 O B:HOH123 4.1 11.4 1.0 CA B:GLY87 4.2 10.5 1.0 C B:GLY37 4.3 10.8 1.0 CB B:PHE86 4.4 12.6 1.0 O2B B:ATP121 4.4 10.1 1.0 C3 B:AKG120 4.4 12.5 1.0 CG B:GLN39 4.5 9.1 1.0 N B:GLY37 4.5 8.2 1.0 O1G B:ATP121 4.5 10.4 1.0 C B:PHE86 4.5 12.8 1.0 O5' B:ATP121 4.5 10.1 1.0 CB B:GLN39 4.6 9.2 1.0 CA B:PHE86 4.7 10.7 1.0 CA B:GLU38 4.7 8.5 1.0 C B:GLU38 4.9 10.3 1.0 CA B:GLN39 4.9 8.4 1.0

Magnesium binding site 3 out of 3 in the A. Fulgidus GLNK3, Mgatp/2-Og Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of A. Fulgidus GLNK3, Mgatp/2-Og Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg119 b:8.4 occ:1.00 OE1 C:GLN39 2.0 15.3 1.0 O2 C:AKG120 2.0 18.1 1.0 O1B C:ATP121 2.0 16.0 1.0 O1G C:ATP121 2.0 16.5 1.0 O2A C:ATP121 2.2 14.8 1.0 O5 C:AKG120 2.2 17.9 1.0 C1 C:AKG120 2.8 18.4 1.0 C2 C:AKG120 2.9 18.5 1.0 PB C:ATP121 3.1 15.2 1.0 CD C:GLN39 3.2 26.6 1.0 PG C:ATP121 3.2 18.6 1.0 PA C:ATP121 3.3 13.7 1.0 O3B C:ATP121 3.5 15.0 1.0 O3A C:ATP121 3.5 14.7 1.0 N C:GLY87 3.7 13.4 1.0 O3G C:ATP121 3.8 16.8 1.0 NE2 C:GLN39 3.8 20.2 1.0 O1 C:AKG120 3.9 17.3 1.0 N C:GLU38 4.0 15.7 1.0 O1A C:ATP121 4.2 13.4 1.0 N C:GLN39 4.2 14.4 1.0 CA C:GLY37 4.2 13.7 1.0 CA C:GLY87 4.2 13.3 1.0 O C:HOH131 4.2 14.7 1.0 CB C:PHE86 4.3 18.9 1.0 C C:GLY37 4.4 18.1 1.0 CG C:GLN39 4.4 15.5 1.0 C3 C:AKG120 4.4 17.9 1.0 C C:PHE86 4.4 17.4 1.0 O2G C:ATP121 4.4 18.5 1.0 O5' C:ATP121 4.5 13.6 1.0 O2B C:ATP121 4.5 16.2 1.0 N C:GLY37 4.5 11.8 1.0 CB C:GLN39 4.5 13.8 1.0 CG C:GLU38 4.6 31.4 1.0 CA C:PHE86 4.6 15.9 1.0 CA C:GLU38 4.9 15.4 1.0 CA C:GLN39 5.0 13.6 1.0

S.Maier, P.Schleberger, W.Lu, T.Wacker, T.Pfluger, C.Litz, S.L.Andrade. Mechanism of Disruption of the Amt-Glnk Complex By P(II)-Mediated Sensing of 2-Oxoglutarate. Plos One V. 6 26327 2011.
ISSN: ESSN 1932-6203
PubMed: 22039461
DOI: 10.1371/JOURNAL.PONE.0026327