Magnesium in PDB 8sxd: Campylobacter Jejuni Keto-Acid Reductoisomerase in Complex with Intermediate and Nadp+

All present enzymatic activity of Campylobacter Jejuni Keto-Acid Reductoisomerase in Complex with Intermediate and Nadp+:
1.1.1.86;

The structure of Campylobacter Jejuni Keto-Acid Reductoisomerase in Complex with Intermediate and Nadp+, PDB code: 8sxd was solved by X.Lin, T.Lonhienne, L.W.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.74 / 2.59
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	130.72, 130.72, 130.72, 90, 90, 90
R / Rfree (%)	19.1 / 24.5

The structure of Campylobacter Jejuni Keto-Acid Reductoisomerase in Complex with Intermediate and Nadp+ also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Campylobacter Jejuni Keto-Acid Reductoisomerase in Complex with Intermediate and Nadp+ (pdb code 8sxd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Campylobacter Jejuni Keto-Acid Reductoisomerase in Complex with Intermediate and Nadp+, PDB code: 8sxd:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Campylobacter Jejuni Keto-Acid Reductoisomerase in Complex with Intermediate and Nadp+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Campylobacter Jejuni Keto-Acid Reductoisomerase in Complex with Intermediate and Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:70.2 occ:1.00 OD1 A:ASP192 2.0 67.3 1.0 O07 A:WXU401 2.6 76.7 1.0 CG A:ASP192 3.2 64.2 1.0 O09 A:WXU401 3.3 69.8 1.0 OE2 A:GLU196 3.8 69.6 1.0 C04 A:WXU401 3.9 80.9 1.0 OD2 A:ASP192 4.0 66.1 1.0 CB A:ASP192 4.1 59.8 1.0 CG A:GLU196 4.1 66.8 1.0 C02 A:WXU401 4.2 72.8 1.0 CA A:ASP192 4.3 58.4 1.0 MG A:MG403 4.3 72.0 1.0 O A:ASP192 4.3 61.9 1.0 CD1 A:LEU200 4.4 62.2 1.0 C05 A:WXU401 4.4 76.5 1.0 CD A:GLU196 4.5 67.0 1.0 C03 A:WXU401 4.6 75.7 0.9 C A:ASP192 4.7 59.9 1.0 NZ A:LYS132 4.8 70.2 1.0 C06 A:WXU401 5.0 81.0 1.0

Magnesium binding site 2 out of 2 in the Campylobacter Jejuni Keto-Acid Reductoisomerase in Complex with Intermediate and Nadp+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Campylobacter Jejuni Keto-Acid Reductoisomerase in Complex with Intermediate and Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:72.0 occ:1.00 OE2 A:GLU196 1.9 69.6 1.0 O09 A:WXU401 1.9 69.8 1.0 O01 A:WXU401 2.0 71.6 1.0 OD2 A:ASP192 2.1 66.1 1.0 O A:HOH520 2.2 70.2 1.0 C02 A:WXU401 2.2 72.8 1.0 O A:HOH522 2.3 67.0 1.0 CG A:ASP192 3.0 64.2 1.0 CD A:GLU196 3.0 67.0 1.0 OD1 A:ASP192 3.1 67.3 1.0 OE1 A:GLU196 3.5 63.4 1.0 C03 A:WXU401 3.6 75.7 0.9 CG A:GLU196 4.2 66.8 1.0 MG A:MG402 4.3 70.2 1.0 O07 A:WXU401 4.3 76.7 1.0 CB A:ASP192 4.4 59.8 1.0 O08 A:WXU401 4.4 78.2 1.0 C04 A:WXU401 4.5 80.9 1.0 O A:HOH519 4.6 76.2 1.0 CE1 A:HIS109 4.6 64.8 1.0 NE2 A:HIS109 4.8 65.2 1.0 C05 A:WXU401 4.9 76.5 1.0

X.Lin, T.Lonhienne, Y.Lv, J.Kurz, R.Mcgeary, G.Schenk, L.W.Guddat. Mapping of the Reaction Trajectory Catalyzed By Class I Ketol-Acid Reductoisomerase Acs Catalysis 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.4C00958