Magnesium in PDB 6jcv: Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5

All present enzymatic activity of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5:
1.1.1.86;

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Magnesium atom in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 (pdb code 6jcv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 24 binding sites of Magnesium where determined in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5, PDB code: 6jcv:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 24 in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:92.3 occ:1.00 OE2 A:GLU195 3.4 98.6 1.0 OG B:SER257 3.4 93.7 1.0 OD1 A:ASP191 4.0 0.1 1.0 O B:HOH405 4.1 95.3 1.0 OG B:SER254 4.4 99.5 1.0 CD A:GLU195 4.5 98.6 1.0 MG A:MG402 4.6 0.3 1.0 OD2 A:ASP191 4.7 0.1 1.0 CB B:SER257 4.7 93.7 1.0 CG A:ASP191 4.8 0.1 1.0 CB B:SER254 4.9 99.5 1.0

Magnesium binding site 2 out of 24 in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:0.3 occ:1.00 OE1 B:GLU233 3.1 0.3 1.0 NH1 A:ARG130 3.5 1.0 1.0 OE1 B:GLU227 3.5 0.6 1.0 OD2 A:ASP191 3.7 0.1 1.0 CD B:GLU233 3.8 0.3 1.0 OE2 B:GLU233 4.0 0.3 1.0 CG A:ASP191 4.1 0.1 1.0 OD1 A:ASP191 4.3 0.1 1.0 CZ A:ARG130 4.5 1.0 1.0 MG A:MG401 4.6 92.3 1.0 CD B:GLU227 4.6 0.6 1.0 NH2 A:ARG130 4.7 1.0 1.0 OE2 A:GLU195 4.8 98.6 1.0 CA A:ASP191 4.8 0.1 1.0 OG A:SER194 4.8 0.9 1.0 OE2 B:GLU227 4.9 0.6 1.0 O A:ASP191 4.9 0.1 1.0 CB A:ASP191 5.0 0.1 1.0

Magnesium binding site 3 out of 24 in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:92.2 occ:1.00 OG A:SER257 3.4 93.7 1.0 OE2 B:GLU195 3.4 98.5 1.0 OD1 B:ASP191 4.0 0.2 1.0 O A:HOH504 4.1 97.6 1.0 OG A:SER254 4.4 99.5 1.0 CD B:GLU195 4.5 98.5 1.0 MG A:MG404 4.6 0.8 1.0 CB A:SER257 4.6 93.7 1.0 OD2 B:ASP191 4.7 0.2 1.0 CG B:ASP191 4.8 0.2 1.0 CB A:SER254 4.8 99.5 1.0

Magnesium binding site 4 out of 24 in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:0.8 occ:1.00 OE1 A:GLU233 3.1 0.9 1.0 NH1 B:ARG130 3.5 0.3 1.0 OE1 A:GLU227 3.5 1.0 1.0 OD2 B:ASP191 3.7 0.2 1.0 CD A:GLU233 3.8 0.9 1.0 OE2 A:GLU233 4.0 0.9 1.0 CG B:ASP191 4.1 0.2 1.0 OD1 B:ASP191 4.3 0.2 1.0 CZ B:ARG130 4.5 0.3 1.0 MG A:MG403 4.6 92.2 1.0 CD A:GLU227 4.6 1.0 1.0 NH2 B:ARG130 4.7 0.3 1.0 OE2 B:GLU195 4.8 98.5 1.0 CA B:ASP191 4.8 0.2 1.0 OG B:SER194 4.8 0.6 1.0 OE2 A:GLU227 4.9 1.0 1.0 O B:ASP191 4.9 0.2 1.0 CB B:ASP191 5.0 0.2 1.0

Magnesium binding site 5 out of 24 in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:92.8 occ:1.00 OE2 C:GLU195 3.4 99.2 1.0 OG D:SER257 3.4 94.1 1.0 OD1 C:ASP191 4.0 0.3 1.0 O D:HOH404 4.0 98.4 1.0 OG D:SER254 4.5 0.2 1.0 CD C:GLU195 4.5 99.2 1.0 MG C:MG402 4.6 0.0 1.0 OD2 C:ASP191 4.7 0.3 1.0 CB D:SER257 4.7 94.1 1.0 CG C:ASP191 4.8 0.3 1.0 CB D:SER254 4.9 0.2 1.0

Magnesium binding site 6 out of 24 in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg402 b:0.0 occ:1.00 OE1 D:GLU233 3.0 0.5 1.0 NH1 C:ARG130 3.5 0.8 1.0 OE1 D:GLU227 3.5 0.8 1.0 OD2 C:ASP191 3.7 0.3 1.0 CD D:GLU233 3.8 0.5 1.0 OE2 D:GLU233 4.0 0.5 1.0 CG C:ASP191 4.1 0.3 1.0 OD1 C:ASP191 4.3 0.3 1.0 CZ C:ARG130 4.5 0.8 1.0 CD D:GLU227 4.6 0.8 1.0 MG C:MG401 4.6 92.8 1.0 NH2 C:ARG130 4.7 0.8 1.0 OE2 C:GLU195 4.8 99.2 1.0 CA C:ASP191 4.8 0.3 1.0 OG C:SER194 4.8 0.1 1.0 OE2 D:GLU227 4.9 0.8 1.0 O C:ASP191 4.9 0.3 1.0 CB C:ASP191 5.0 0.3 1.0

Magnesium binding site 7 out of 24 in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg403 b:90.3 occ:1.00 OE2 D:GLU195 3.4 99.2 1.0 OG C:SER257 3.4 93.7 1.0 OD1 D:ASP191 4.0 0.5 1.0 O C:HOH504 4.1 96.5 1.0 OG C:SER254 4.5 99.8 1.0 CD D:GLU195 4.5 99.2 1.0 MG C:MG404 4.6 0.8 1.0 CB C:SER257 4.7 93.7 1.0 OD2 D:ASP191 4.7 0.5 1.0 CG D:ASP191 4.8 0.5 1.0 CB C:SER254 4.9 99.8 1.0

Magnesium binding site 8 out of 24 in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg404 b:0.8 occ:1.00 OE1 C:GLU233 3.0 0.1 1.0 NH1 D:ARG130 3.5 0.4 1.0 OE1 C:GLU227 3.5 0.1 1.0 OD2 D:ASP191 3.7 0.5 1.0 CD C:GLU233 3.8 0.1 1.0 OE2 C:GLU233 4.0 0.1 1.0 CG D:ASP191 4.1 0.5 1.0 OD1 D:ASP191 4.3 0.5 1.0 CZ D:ARG130 4.5 0.4 1.0 CD C:GLU227 4.6 0.1 1.0 MG C:MG403 4.6 90.3 1.0 NH2 D:ARG130 4.7 0.4 1.0 OE2 D:GLU195 4.8 99.2 1.0 OG D:SER194 4.8 0.1 1.0 CA D:ASP191 4.8 0.5 1.0 OE2 C:GLU227 4.9 0.1 1.0 O D:ASP191 4.9 0.5 1.0 CB D:ASP191 5.0 0.5 1.0

Magnesium binding site 9 out of 24 in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg401 b:91.6 occ:1.00 OG F:SER257 3.4 94.1 1.0 OE2 E:GLU195 3.4 98.7 1.0 OD1 E:ASP191 4.0 0.9 1.0 O F:HOH404 4.1 96.2 1.0 OG F:SER254 4.4 99.9 1.0 CD E:GLU195 4.5 98.7 1.0 MG E:MG402 4.6 1.0 1.0 CB F:SER257 4.6 94.1 1.0 OD2 E:ASP191 4.7 0.9 1.0 CG E:ASP191 4.8 0.9 1.0 CB F:SER254 4.8 99.9 1.0

Magnesium binding site 10 out of 24 in the Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Cryo-Em Structure of Sulfolobus Solfataricus Ketol-Acid Reductoisomerase (Sso-Kari) with MG2+ at PH7.5 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg402 b:1.0 occ:1.00 OE1 F:GLU233 3.1 0.3 1.0 NH1 E:ARG130 3.5 0.1 1.0 OE1 F:GLU227 3.5 0.3 1.0 OD2 E:ASP191 3.7 0.9 1.0 CD F:GLU233 3.8 0.3 1.0 OE2 F:GLU233 4.0 0.3 1.0 CG E:ASP191 4.1 0.9 1.0 OD1 E:ASP191 4.3 0.9 1.0 CZ E:ARG130 4.5 0.1 1.0 MG E:MG401 4.6 91.6 1.0 CD F:GLU227 4.6 0.3 1.0 NH2 E:ARG130 4.7 0.1 1.0 OE2 E:GLU195 4.8 98.7 1.0 CA E:ASP191 4.8 0.9 1.0 OG E:SER194 4.8 0.5 1.0 OE2 F:GLU227 4.9 0.3 1.0 O E:ASP191 4.9 0.9 1.0 CB E:ASP191 5.0 0.9 1.0

C.Y.Chen, Y.C.Chang, B.L.Lin, K.F.Lin, C.H.Huang, D.L.Hsieh, T.P.Ko, M.D.Tsai. Use of Cryo-Em to Uncover Structural Bases of pH Effect and Cofactor Bispecificity of Ketol-Acid Reductoisomerase. J. Am. Chem. Soc. V. 141 6136 2019.
ISSN: ESSN 1520-5126
PubMed: 30921515
DOI: 10.1021/JACS.9B01354