Magnesium in PDB 7q03: Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Close State with Nadp and MG2+

All present enzymatic activity of Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Close State with Nadp and MG2+:
1.1.1.86;

The structure of Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Close State with Nadp and MG2+, PDB code: 7q03 was solved by O.N.Lemaire, M.Mueller, T.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.07 / 2.10
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	129.882, 129.882, 129.882, 90, 90, 90
R / Rfree (%)	17.6 / 18.9

The binding sites of Magnesium atom in the Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Close State with Nadp and MG2+ (pdb code 7q03). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Close State with Nadp and MG2+, PDB code: 7q03:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Close State with Nadp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Close State with Nadp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg509 b:42.7 occ:1.00 OD1 A:ASP191 2.4 39.1 1.0 O A:HOH652 2.4 37.3 1.0 O A:HOH631 2.8 40.2 1.0 CG A:ASP191 3.5 34.3 1.0 OD2 A:ASP191 4.1 33.5 1.0 MG A:MG510 4.1 34.7 1.0 CE A:LYS131 4.4 41.1 1.0 C5N A:NAP508 4.5 43.5 1.0 C4N A:NAP508 4.6 44.0 1.0 OE1 A:GLU195 4.6 30.4 1.0 CB A:ASP191 4.6 31.4 1.0 NZ A:LYS131 4.6 37.0 1.0 CA A:LYS131 4.7 44.8 1.0 C A:LYS131 4.8 44.3 1.0 N A:SER132 4.8 45.4 1.0 CD1 A:LEU199 4.9 46.2 1.0 CD A:LYS131 4.9 42.4 1.0 O A:PRO130 4.9 51.5 1.0 CA A:ASP191 5.0 30.7 1.0

Magnesium binding site 2 out of 2 in the Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Close State with Nadp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ketol-Acid Reductoisomerase From Methanothermococcus Thermolithotrophicus in the Close State with Nadp and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg510 b:34.7 occ:1.00 OD2 A:ASP191 2.2 33.5 1.0 O A:HOH628 2.2 28.4 1.0 O A:HOH641 2.3 37.2 1.0 O A:HOH652 2.4 37.3 1.0 OE1 A:GLU195 2.5 30.4 1.0 CG A:ASP191 3.1 34.3 1.0 OD1 A:ASP191 3.4 39.1 1.0 CD A:GLU195 3.4 28.9 1.0 OE2 A:GLU195 3.7 28.3 1.0 MG A:MG509 4.1 42.7 1.0 O A:HOH631 4.5 40.2 1.0 NE2 A:HIS108 4.5 32.4 1.0 CB A:ASP191 4.5 31.4 1.0 O2D A:NAP508 4.6 38.2 1.0 CE1 A:HIS108 4.6 31.9 1.0 C5N A:NAP508 4.7 43.5 1.0 CD2 A:HIS108 4.7 33.4 1.0 C6N A:NAP508 4.8 42.1 1.0 CG A:GLU195 4.8 28.5 1.0 C4N A:NAP508 4.9 44.0 1.0 O A:ASP191 4.9 30.4 1.0 ND1 A:HIS108 4.9 32.4 1.0 CG A:HIS108 5.0 32.6 1.0 N1N A:NAP508 5.0 41.6 1.0

O.N.Lemaire, M.C.Muller, J.Kahnt, T.Wagner. Structural Rearrangements of A Dodecameric Ketol-Acid Reductoisomerase Isolated From A Marine Thermophilic Methanogen. Biomolecules V. 11 2021.
ISSN: ESSN 2218-273X
PubMed: 34827677
DOI: 10.3390/BIOM11111679