Magnesium in PDB 5kf6: Structure of Proline Utilization A From Sinorhizobium Meliloti Complexed with L-Tetrahydrofuroic Acid and Nad+ in Space Group P21

The structure of Structure of Proline Utilization A From Sinorhizobium Meliloti Complexed with L-Tetrahydrofuroic Acid and Nad+ in Space Group P21, PDB code: 5kf6 was solved by J.J.Tanner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.38 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	101.400, 102.332, 125.909, 90.00, 106.53, 90.00
R / Rfree (%)	19 / 22.2

The binding sites of Magnesium atom in the Structure of Proline Utilization A From Sinorhizobium Meliloti Complexed with L-Tetrahydrofuroic Acid and Nad+ in Space Group P21 (pdb code 5kf6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Proline Utilization A From Sinorhizobium Meliloti Complexed with L-Tetrahydrofuroic Acid and Nad+ in Space Group P21, PDB code: 5kf6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Proline Utilization A From Sinorhizobium Meliloti Complexed with L-Tetrahydrofuroic Acid and Nad+ in Space Group P21


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Proline Utilization A From Sinorhizobium Meliloti Complexed with L-Tetrahydrofuroic Acid and Nad+ in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2004 b:23.9 occ:1.00 O A:HOH2549 2.1 27.2 1.0 O A:HOH2221 2.1 26.1 1.0 O A:HOH2276 2.1 24.3 1.0 O2A A:NAD2002 2.1 18.4 1.0 O A:HOH2651 2.4 29.6 1.0 PA A:NAD2002 3.5 18.6 1.0 O A:HOH2264 3.6 20.7 1.0 O5B A:NAD2002 3.7 18.6 1.0 O1N A:NAD2002 3.9 18.2 1.0 O3 A:NAD2002 4.2 17.0 1.0 OE2 A:GLU733 4.3 23.4 1.0 OE1 A:GLU734 4.3 28.7 1.0 O A:HOH2699 4.3 36.4 1.0 PN A:NAD2002 4.5 18.1 1.0 O1A A:NAD2002 4.5 15.1 1.0 O2N A:NAD2002 4.6 16.5 1.0 O A:HOH2230 4.9 32.5 1.0

Magnesium binding site 2 out of 2 in the Structure of Proline Utilization A From Sinorhizobium Meliloti Complexed with L-Tetrahydrofuroic Acid and Nad+ in Space Group P21


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Proline Utilization A From Sinorhizobium Meliloti Complexed with L-Tetrahydrofuroic Acid and Nad+ in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2004 b:23.9 occ:1.00 O B:HOH2251 1.9 21.2 1.0 O B:HOH2478 2.1 25.4 1.0 O2A B:NAD2002 2.1 14.9 1.0 O B:HOH2590 2.2 26.7 1.0 O B:HOH2668 2.3 44.8 1.0 O B:HOH2627 2.5 32.8 1.0 O B:HOH2363 3.3 15.2 1.0 PA B:NAD2002 3.5 15.5 1.0 O1N B:NAD2002 3.7 17.2 1.0 O5B B:NAD2002 3.7 14.1 1.0 O3 B:NAD2002 4.1 12.9 1.0 OE1 B:GLU734 4.2 22.3 1.0 OE2 B:GLU733 4.3 20.9 1.0 PN B:NAD2002 4.3 14.6 1.0 O B:HOH2695 4.5 29.5 1.0 O2N B:NAD2002 4.5 12.8 1.0 O1A B:NAD2002 4.6 12.0 1.0

M.Luo, T.T.Gamage, B.W.Arentson, K.N.Schlasner, D.F.Becker, J.J.Tanner. Structures of Proline Utilization A (Puta) Reveal the Fold and Functions of the Aldehyde Dehydrogenase Superfamily Domain of Unknown Function. J.Biol.Chem. V. 291 24065 2016.
ISSN: ESSN 1083-351X
PubMed: 27679491
DOI: 10.1074/JBC.M116.756965