Magnesium in PDB 6l2i: Ilvc, A Ketol-Acid Reductoisomerase, From Streptococcus PNEUMONIAE_WT

All present enzymatic activity of Ilvc, A Ketol-Acid Reductoisomerase, From Streptococcus PNEUMONIAE_WT:
1.1.1.86;

The structure of Ilvc, A Ketol-Acid Reductoisomerase, From Streptococcus PNEUMONIAE_WT, PDB code: 6l2i was solved by K.Gyuhee, S.Donghyuk, L.Sumin, Y.Jaesook, L.Sangho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.63 / 1.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.063, 104.349, 110.942, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 20.9

The binding sites of Magnesium atom in the Ilvc, A Ketol-Acid Reductoisomerase, From Streptococcus PNEUMONIAE_WT (pdb code 6l2i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ilvc, A Ketol-Acid Reductoisomerase, From Streptococcus PNEUMONIAE_WT, PDB code: 6l2i:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ilvc, A Ketol-Acid Reductoisomerase, From Streptococcus PNEUMONIAE_WT


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ilvc, A Ketol-Acid Reductoisomerase, From Streptococcus PNEUMONIAE_WT within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:35.4 occ:0.60 O1 B:SO4412 2.0 35.9 0.3 O A:HOH506 2.4 37.2 1.0 OD1 B:ASP191 2.7 38.4 1.0 OE1 B:GLU195 3.0 25.8 1.0 O B:ASP191 3.0 19.4 1.0 OE1 A:GLU227 3.1 34.8 1.0 CG B:ASP191 3.2 33.8 1.0 S B:SO4412 3.4 47.0 0.3 CB B:GLU195 3.6 19.6 1.0 OD2 B:ASP191 3.6 34.7 1.0 O2 B:SO4412 3.7 42.0 0.7 CD B:GLU195 3.8 25.9 1.0 C B:ASP191 3.8 19.0 1.0 N B:GLU195 3.9 18.4 1.0 CA B:ASP191 3.9 21.1 1.0 MG B:MG403 4.0 26.2 0.5 O A:HOH521 4.0 48.4 1.0 CD1 B:LEU199 4.0 24.1 1.0 CG B:GLU195 4.1 21.3 1.0 CB B:ASP191 4.2 19.7 1.0 O3 B:SO4412 4.2 31.4 0.6 CD A:GLU227 4.2 32.9 1.0 CA B:GLU195 4.2 18.2 1.0 O4 B:SO4412 4.3 44.9 0.9 OE2 A:GLU231 4.4 32.5 1.0 O B:HOH618 4.6 47.3 1.0 OE2 A:GLU227 4.7 50.4 1.0 C B:GLY194 4.7 19.9 1.0 OE2 B:GLU195 4.9 20.5 1.0 OE1 A:GLU231 4.9 45.5 1.0 CD A:GLU231 4.9 42.3 1.0 O A:HOH722 5.0 37.5 1.0

Magnesium binding site 2 out of 2 in the Ilvc, A Ketol-Acid Reductoisomerase, From Streptococcus PNEUMONIAE_WT


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ilvc, A Ketol-Acid Reductoisomerase, From Streptococcus PNEUMONIAE_WT within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:26.2 occ:0.52 OD2 B:ASP191 2.1 34.7 1.0 O B:HOH618 2.2 47.3 1.0 OE1 B:GLU195 2.3 25.8 1.0 O B:HOH593 2.3 30.3 1.0 O B:HOH514 2.5 30.6 1.0 CG B:ASP191 3.1 33.8 1.0 CD B:GLU195 3.1 25.9 1.0 OE2 B:GLU195 3.3 20.5 1.0 OD1 B:ASP191 3.4 38.4 1.0 O B:HOH515 3.7 26.3 1.0 MG B:MG402 4.0 35.4 0.6 O3 B:SO4412 4.0 31.4 0.6 O1 B:SO4412 4.1 35.9 0.3 OG A:SER252 4.3 23.2 1.0 CB A:ALA255 4.3 19.7 1.0 CE1 B:HIS108 4.4 22.7 1.0 CB B:ASP191 4.5 19.7 1.0 S B:SO4412 4.5 47.0 0.3 ND1 B:HIS108 4.5 23.9 1.0 O B:ASP191 4.6 19.4 1.0 O2D B:NAP401 4.6 27.0 0.0 CG B:GLU195 4.6 21.3 1.0 O2 B:SO4412 4.7 42.0 0.7 NE2 B:HIS108 4.7 24.5 1.0 O B:HOH602 4.7 22.9 1.0 CG B:HIS108 4.8 24.0 1.0 C B:ASP191 4.8 19.0 1.0 CD2 B:HIS108 4.9 21.2 1.0 C6N B:NAP401 5.0 29.5 0.0 C5N B:NAP401 5.0 31.1 0.0

G.H.Kim, D.H.Shin, S.M.Lee, J.S.Yoon, S.H.Lee. Crystal Structure of Ilvc, A Ketol-Acid Reductoisomerase, From Streptococcus Pneumoniae. Crystals V. 9 2019.
ISSN: ESSN 2073-4352
DOI: 10.3390/CRYST9110551