Magnesium in PDB 3fr7: Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+

All present enzymatic activity of Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+:
1.1.1.86;

The structure of Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+, PDB code: 3fr7 was solved by L.W.Guddat, E.W.W.Leung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.16 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	126.032, 92.901, 91.187, 90.00, 100.58, 90.00
R / Rfree (%)	20.2 / 23

The binding sites of Magnesium atom in the Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+ (pdb code 3fr7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+, PDB code: 3fr7:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Ketol-Acid Reductoisomerase (Kari) in Complex with 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 (Kari) in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1576 b:22.1 occ:1.00 O A:HOH693 2.0 19.4 1.0 O A:HOH695 2.1 22.0 1.0 OD1 A:ASP315 2.1 22.2 1.0 OE1 A:GLU319 2.1 20.0 1.0 O A:HOH694 2.2 20.4 1.0 O A:HOH752 2.2 24.8 1.0 CD A:GLU319 3.1 19.5 1.0 CG A:ASP315 3.1 20.6 1.0 OD2 A:ASP315 3.4 22.6 1.0 OE2 A:GLU319 3.4 18.8 1.0 O A:HOH791 4.1 34.1 1.0 O A:HOH670 4.1 24.9 1.0 O A:HOH618 4.3 22.8 1.0 O A:ASP315 4.4 18.4 1.0 CG A:GLU319 4.5 17.6 1.0 CB A:ASP315 4.5 19.1 1.0 OG A:SER518 4.6 28.7 1.0 C A:ASP315 4.6 17.7 1.0 CE1 A:HIS226 4.6 26.6 1.0 NE2 A:HIS226 4.7 26.4 1.0 CB A:ALA521 4.7 18.3 1.0 CB A:GLU319 4.8 17.0 1.0 O A:HOH697 4.8 27.4 1.0 O A:HOH700 4.9 35.6 1.0

Magnesium binding site 2 out of 5 in the Ketol-Acid Reductoisomerase (Kari) in Complex with 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 (Kari) in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1577 b:24.6 occ:1.00 O A:HOH699 1.8 28.7 1.0 O A:HOH697 2.0 27.4 1.0 O A:HOH698 2.0 21.4 1.0 OD2 A:ASP315 2.1 22.6 1.0 O A:HOH749 2.2 25.9 1.0 O A:HOH700 2.3 35.6 1.0 CG A:ASP315 3.1 20.6 1.0 O A:HOH792 3.6 33.6 1.0 CB A:ASP315 3.6 19.1 1.0 O A:HOH622 3.8 26.7 1.0 O A:HOH694 3.9 20.4 1.0 O A:HOH670 3.9 24.9 1.0 OE1 A:GLU492 4.0 14.3 0.5 OE1 A:GLU492 4.1 30.3 0.5 OE2 A:GLU492 4.1 19.1 0.5 O A:HOH625 4.1 27.4 1.0 CD A:GLU492 4.1 19.1 0.5 O A:HOH696 4.1 35.2 1.0 OE2 A:GLU496 4.2 22.3 0.5 OD1 A:ASP315 4.2 22.2 1.0 CA A:ASP315 4.2 18.4 1.0 OE2 A:GLU496 4.3 21.5 0.5 OE2 A:GLU311 4.3 20.3 1.0 OE1 A:GLU496 4.4 24.1 0.5 CD A:GLU496 4.7 21.5 0.5 CG A:GLU492 4.8 17.6 0.5

Magnesium binding site 3 out of 5 in the Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1580 b:37.7 occ:1.00 O A:HOH808 2.1 29.9 1.0 O A:HOH764 2.2 22.3 1.0 O A:HOH31 4.1 17.4 1.0 O A:HIS280 4.2 19.2 1.0 ND1 A:HIS280 4.2 18.9 1.0 OE1 A:GLU309 4.3 17.3 0.5 OE2 A:GLU309 4.4 19.4 0.5 O A:VAL279 4.4 19.0 1.0 CA A:HIS280 4.6 18.4 1.0 CD A:GLU309 4.8 18.4 0.5 C A:HIS280 4.8 19.0 1.0 CE1 A:HIS280 4.8 19.1 1.0

Magnesium binding site 4 out of 5 in the Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1597 b:17.2 occ:1.00 O B:HOH394 2.0 17.4 1.0 OD1 B:ASP1315 2.0 19.1 1.0 OE1 B:GLU1319 2.0 18.6 1.0 O B:HOH238 2.1 16.1 1.0 O B:HOH337 2.2 20.4 1.0 O B:HOH421 2.3 20.4 1.0 CG B:ASP1315 3.0 20.3 1.0 CD B:GLU1319 3.1 17.0 1.0 OD2 B:ASP1315 3.4 20.8 1.0 OE2 B:GLU1319 3.4 17.0 1.0 O B:HOH404 3.9 24.4 1.0 O B:HOH659 4.2 19.9 1.0 O B:HOH144 4.3 17.4 1.0 O B:ASP1315 4.4 15.8 1.0 O B:HOH649 4.4 26.7 1.0 CB B:ASP1315 4.4 17.2 1.0 O B:HOH229 4.4 25.1 1.0 CG B:GLU1319 4.4 15.8 1.0 C B:ASP1315 4.6 15.1 1.0 NE2 B:HIS1226 4.7 20.2 1.0 CE1 B:HIS1226 4.7 22.1 1.0 CB B:ALA1521 4.7 15.5 1.0 CB B:GLU1319 4.8 15.8 1.0 N B:ILE1316 4.9 14.5 1.0

Magnesium binding site 5 out of 5 in the Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Ketol-Acid Reductoisomerase (Kari) in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1598 b:24.1 occ:1.00 O B:HOH653 1.9 32.0 1.0 O B:HOH268 2.0 19.8 1.0 O B:HOH647 2.1 25.5 1.0 O B:HOH651 2.1 22.3 1.0 OD2 B:ASP1315 2.1 20.8 1.0 O B:HOH701 2.4 40.7 1.0 CG B:ASP1315 3.2 20.3 1.0 CB B:ASP1315 3.7 17.2 1.0 O B:HOH645 3.7 27.7 1.0 O B:HOH391 3.9 26.6 1.0 OE1 B:GLU1492 4.0 24.5 1.0 O B:HOH404 4.1 24.4 1.0 CD B:GLU1492 4.1 23.2 1.0 O B:HOH506 4.1 45.8 1.0 O B:HOH394 4.1 17.4 1.0 OE2 B:GLU1492 4.2 24.1 1.0 O B:HOH649 4.2 26.7 1.0 OE2 B:GLU1311 4.2 25.1 0.5 OE1 B:GLU1496 4.3 16.3 0.0 OE1 B:GLU1496 4.3 16.4 0.5 CA B:ASP1315 4.3 16.5 1.0 OD1 B:ASP1315 4.3 19.1 1.0 OE2 B:GLU1311 4.3 13.5 0.5 CG B:GLU1492 4.8 21.1 1.0 OE1 B:GLU1311 5.0 26.1 0.5

E.W.Leung, L.W.Guddat. Conformational Changes in A Plant Ketol-Acid Reductoisomerase Upon Mg(2+) and Nadph Binding As Revealed By Two Crystal Structures J.Mol.Biol. V. 389 167 2009.
ISSN: ISSN 0022-2836
PubMed: 19362563
DOI: 10.1016/J.JMB.2009.04.012