Magnesium in PDB 6kqk: 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd

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

Binding sites:

The binding sites of Magnesium atom in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd (pdb code 6kqk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 24 binding sites of Magnesium where determined in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd, PDB code: 6kqk:
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 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:82.5 occ:1.00 O05 A:9TY403 1.9 90.7 1.0 OE2 A:GLU195 1.9 68.2 1.0 OD2 A:ASP191 2.0 75.5 1.0 C04 A:9TY403 2.4 90.7 1.0 O06 A:9TY403 2.8 90.7 1.0 CD A:GLU195 2.9 68.2 1.0 CG A:ASP191 3.1 75.5 1.0 OE1 A:GLU195 3.3 68.2 1.0 C03 A:9TY403 3.5 90.7 1.0 HG B:SER254 3.5 79.8 1.0 HB2 B:SER257 3.7 72.0 1.0 OD1 A:ASP191 3.7 75.5 1.0 C02 A:9TY403 3.9 90.7 1.0 O01 A:9TY403 4.2 90.7 1.0 HD23 A:LEU192 4.2 67.3 1.0 OG B:SER254 4.2 79.8 1.0 HB3 A:ASP191 4.2 75.5 1.0 CG A:GLU195 4.3 68.2 1.0 CB A:ASP191 4.3 75.5 1.0 H4 A:9TY403 4.4 90.7 1.0 HG3 A:GLU195 4.4 68.2 1.0 O A:ASP191 4.4 75.5 1.0 C08 A:9TY403 4.4 90.7 1.0 O09 A:9TY403 4.5 90.7 1.0 HG2 A:GLU195 4.6 68.2 1.0 HB B:THR256 4.6 69.7 1.0 CB B:SER257 4.6 72.0 1.0 H B:SER257 4.8 72.0 1.0 C A:ASP191 4.9 75.5 1.0 C07 A:9TY403 4.9 90.7 1.0 HA B:SER257 4.9 72.0 1.0 HB2 A:ASP191 5.0 75.5 1.0 H3 A:9TY403 5.0 90.7 1.0

Magnesium binding site 2 out of 24 in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:90.8 occ:1.00 O09 B:9TY404 1.9 90.2 1.0 O01 B:9TY404 2.0 90.2 1.0 OD1 B:ASP191 2.1 75.1 1.0 C02 B:9TY404 2.3 90.2 1.0 OE2 A:GLU227 2.7 83.4 1.0 CG B:ASP191 3.3 75.1 1.0 HA B:ASP191 3.4 75.1 1.0 CD A:GLU227 3.4 83.4 1.0 OE1 A:GLU227 3.4 83.4 1.0 OE1 A:GLU233 3.7 94.2 1.0 OE2 A:GLU233 3.7 94.2 1.0 C03 B:9TY404 3.8 90.2 1.0 OD2 B:ASP191 4.1 75.1 1.0 CD A:GLU233 4.1 94.2 1.0 CB B:ASP191 4.2 75.1 1.0 CA B:ASP191 4.2 75.1 1.0 HH11 B:ARG130 4.2 98.7 1.0 HD3 B:ARG130 4.3 98.7 1.0 NH1 B:ARG130 4.3 98.7 1.0 HB2 B:ASP191 4.4 75.1 1.0 HH12 B:ARG130 4.4 98.7 1.0 H3 B:9TY404 4.5 90.2 1.0 O06 B:9TY404 4.5 90.2 1.0 H2 B:9TY404 4.6 90.2 1.0 O B:ASP191 4.6 75.1 1.0 HB2 B:SER194 4.7 67.3 1.0 C04 B:9TY404 4.7 90.2 1.0 HG B:SER194 4.7 67.3 1.0 CZ B:ARG130 4.7 98.7 1.0 C08 B:9TY404 4.7 90.2 1.0 C07 B:9TY404 4.8 90.2 1.0 OE2 B:GLU195 4.9 67.7 1.0 CG A:GLU227 4.9 83.4 1.0 C B:ASP191 5.0 75.1 1.0 HG3 B:GLU195 5.0 67.7 1.0

Magnesium binding site 3 out of 24 in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:90.2 occ:1.00 O01 A:9TY403 1.9 90.7 1.0 O09 A:9TY403 2.0 90.7 1.0 OD1 A:ASP191 2.1 75.5 1.0 C02 A:9TY403 2.3 90.7 1.0 OE2 B:GLU227 2.6 83.6 1.0 CG A:ASP191 3.3 75.5 1.0 CD B:GLU227 3.4 83.6 1.0 OE1 B:GLU227 3.4 83.6 1.0 HA A:ASP191 3.4 75.5 1.0 OE1 B:GLU233 3.6 94.3 1.0 OE2 B:GLU233 3.7 94.3 1.0 C03 A:9TY403 3.8 90.7 1.0 OD2 A:ASP191 4.1 75.5 1.0 CD B:GLU233 4.1 94.3 1.0 CB A:ASP191 4.2 75.5 1.0 CA A:ASP191 4.2 75.5 1.0 HH11 A:ARG130 4.2 98.2 1.0 HD3 A:ARG130 4.3 98.2 1.0 NH1 A:ARG130 4.3 98.2 1.0 HB2 A:ASP191 4.4 75.5 1.0 HH12 A:ARG130 4.4 98.2 1.0 H3 A:9TY403 4.5 90.7 1.0 O05 A:9TY403 4.5 90.7 1.0 H2 A:9TY403 4.6 90.7 1.0 O A:ASP191 4.6 75.5 1.0 HB2 A:SER194 4.7 67.7 1.0 C04 A:9TY403 4.7 90.7 1.0 HG A:SER194 4.7 67.7 1.0 CZ A:ARG130 4.7 98.2 1.0 C08 A:9TY403 4.7 90.7 1.0 C07 A:9TY403 4.8 90.7 1.0 CG B:GLU227 4.8 83.6 1.0 OE2 A:GLU195 4.9 68.2 1.0 C A:ASP191 5.0 75.5 1.0 HG3 A:GLU195 5.0 68.2 1.0

Magnesium binding site 4 out of 24 in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:81.7 occ:1.00 O06 B:9TY404 1.9 90.2 1.0 OE2 B:GLU195 1.9 67.7 1.0 OD2 B:ASP191 2.0 75.1 1.0 C04 B:9TY404 2.4 90.2 1.0 O05 B:9TY404 2.8 90.2 1.0 CD B:GLU195 2.9 67.7 1.0 CG B:ASP191 3.1 75.1 1.0 OE1 B:GLU195 3.3 67.7 1.0 HG A:SER254 3.5 79.6 1.0 C03 B:9TY404 3.5 90.2 1.0 HB2 A:SER257 3.6 71.5 1.0 OD1 B:ASP191 3.7 75.1 1.0 C02 B:9TY404 3.9 90.2 1.0 OG A:SER254 4.1 79.6 1.0 O09 B:9TY404 4.2 90.2 1.0 HD23 B:LEU192 4.2 66.9 1.0 HB3 B:ASP191 4.2 75.1 1.0 CG B:GLU195 4.3 67.7 1.0 CB B:ASP191 4.3 75.1 1.0 H4 B:9TY404 4.4 90.2 1.0 HG3 B:GLU195 4.4 67.7 1.0 O B:ASP191 4.4 75.1 1.0 C08 B:9TY404 4.4 90.2 1.0 O01 B:9TY404 4.5 90.2 1.0 HG2 B:GLU195 4.6 67.7 1.0 HB A:THR256 4.6 69.1 1.0 CB A:SER257 4.6 71.5 1.0 H A:SER257 4.8 71.5 1.0 C B:ASP191 4.9 75.1 1.0 C07 B:9TY404 4.9 90.2 1.0 HA A:SER257 4.9 71.5 1.0 HB3 A:SER257 5.0 71.5 1.0 HB2 B:ASP191 5.0 75.1 1.0 H3 B:9TY404 5.0 90.2 1.0

Magnesium binding site 5 out of 24 in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:80.5 occ:1.00 O06 C:9TY403 1.9 89.8 1.0 OE2 C:GLU195 1.9 68.0 1.0 OD2 C:ASP191 2.0 75.5 1.0 C04 C:9TY403 2.4 89.8 1.0 O05 C:9TY403 2.8 89.8 1.0 CD C:GLU195 2.9 68.0 1.0 CG C:ASP191 3.1 75.5 1.0 OE1 C:GLU195 3.3 68.0 1.0 HG D:SER254 3.4 79.3 1.0 C03 C:9TY403 3.5 89.8 1.0 HB2 D:SER257 3.7 71.4 1.0 OD1 C:ASP191 3.7 75.5 1.0 C02 C:9TY403 3.9 89.8 1.0 OG D:SER254 4.1 79.3 1.0 O01 C:9TY403 4.2 89.8 1.0 HD23 C:LEU192 4.2 67.1 1.0 HB3 C:ASP191 4.2 75.5 1.0 CG C:GLU195 4.3 68.0 1.0 CB C:ASP191 4.3 75.5 1.0 H4 C:9TY403 4.4 89.8 1.0 HG3 C:GLU195 4.4 68.0 1.0 O C:ASP191 4.4 75.5 1.0 C08 C:9TY403 4.4 89.8 1.0 O09 C:9TY403 4.5 89.8 1.0 HB D:THR256 4.6 68.9 1.0 HG2 C:GLU195 4.6 68.0 1.0 CB D:SER257 4.6 71.4 1.0 H D:SER257 4.8 71.4 1.0 C C:ASP191 4.9 75.5 1.0 C07 C:9TY403 4.9 89.8 1.0 HA D:SER257 4.9 71.4 1.0 HB3 D:SER257 5.0 71.4 1.0 HB2 C:ASP191 5.0 75.5 1.0 H3 C:9TY403 5.0 89.8 1.0

Magnesium binding site 6 out of 24 in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg404 b:90.7 occ:1.00 O01 D:9TY404 1.9 90.5 1.0 O09 D:9TY404 2.0 90.5 1.0 OD1 D:ASP191 2.1 75.4 1.0 C02 D:9TY404 2.3 90.5 1.0 OE2 C:GLU227 2.6 84.0 1.0 CG D:ASP191 3.3 75.4 1.0 CD C:GLU227 3.3 84.0 1.0 OE1 C:GLU227 3.3 84.0 1.0 HA D:ASP191 3.4 75.4 1.0 OE1 C:GLU233 3.7 94.2 1.0 OE2 C:GLU233 3.8 94.2 1.0 C03 D:9TY404 3.8 90.5 1.0 OD2 D:ASP191 4.1 75.4 1.0 CD C:GLU233 4.2 94.2 1.0 CB D:ASP191 4.2 75.4 1.0 CA D:ASP191 4.2 75.4 1.0 HH11 D:ARG130 4.2 97.5 1.0 HD3 D:ARG130 4.3 97.5 1.0 NH1 D:ARG130 4.3 97.5 1.0 HB2 D:ASP191 4.4 75.4 1.0 HH12 D:ARG130 4.4 97.5 1.0 H3 D:9TY404 4.5 90.5 1.0 O06 D:9TY404 4.5 90.5 1.0 H2 D:9TY404 4.6 90.5 1.0 O D:ASP191 4.6 75.4 1.0 HB2 D:SER194 4.7 67.8 1.0 C04 D:9TY404 4.7 90.5 1.0 CZ D:ARG130 4.7 97.5 1.0 C08 D:9TY404 4.7 90.5 1.0 HG D:SER194 4.7 67.8 1.0 C07 D:9TY404 4.8 90.5 1.0 CG C:GLU227 4.8 84.0 1.0 OE2 D:GLU195 4.9 68.0 1.0 C D:ASP191 5.0 75.4 1.0 HG3 D:GLU195 5.0 68.0 1.0

Magnesium binding site 7 out of 24 in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg401 b:89.6 occ:1.00 O01 C:9TY403 1.9 89.8 1.0 O09 C:9TY403 2.0 89.8 1.0 OD1 C:ASP191 2.1 75.5 1.0 C02 C:9TY403 2.3 89.8 1.0 OE2 D:GLU227 2.7 83.0 1.0 CG C:ASP191 3.3 75.5 1.0 HA C:ASP191 3.4 75.5 1.0 OE1 D:GLU227 3.4 83.0 1.0 CD D:GLU227 3.5 83.0 1.0 OE1 D:GLU233 3.7 93.7 1.0 OE2 D:GLU233 3.7 93.7 1.0 C03 C:9TY403 3.8 89.8 1.0 OD2 C:ASP191 4.1 75.5 1.0 CD D:GLU233 4.1 93.7 1.0 CB C:ASP191 4.2 75.5 1.0 CA C:ASP191 4.2 75.5 1.0 HH11 C:ARG130 4.2 98.7 1.0 HD3 C:ARG130 4.3 98.7 1.0 NH1 C:ARG130 4.3 98.7 1.0 HB2 C:ASP191 4.4 75.5 1.0 HH12 C:ARG130 4.4 98.7 1.0 H3 C:9TY403 4.5 89.8 1.0 O06 C:9TY403 4.5 89.8 1.0 H2 C:9TY403 4.6 89.8 1.0 O C:ASP191 4.6 75.5 1.0 HG C:SER194 4.7 67.6 1.0 HB2 C:SER194 4.7 67.6 1.0 C04 C:9TY403 4.7 89.8 1.0 CZ C:ARG130 4.7 98.7 1.0 C08 C:9TY403 4.7 89.8 1.0 C07 C:9TY403 4.8 89.8 1.0 OE2 C:GLU195 4.9 68.0 1.0 CG D:GLU227 4.9 83.0 1.0 C C:ASP191 5.0 75.5 1.0 HG3 C:GLU195 5.0 68.0 1.0

Magnesium binding site 8 out of 24 in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg402 b:83.1 occ:1.00 O06 D:9TY404 1.9 90.5 1.0 OE2 D:GLU195 1.9 68.0 1.0 OD2 D:ASP191 2.0 75.4 1.0 C04 D:9TY404 2.4 90.5 1.0 O05 D:9TY404 2.8 90.5 1.0 CD D:GLU195 2.9 68.0 1.0 CG D:ASP191 3.1 75.4 1.0 OE1 D:GLU195 3.3 68.0 1.0 C03 D:9TY404 3.5 90.5 1.0 HG C:SER254 3.6 80.0 1.0 OD1 D:ASP191 3.7 75.4 1.0 HB2 C:SER257 3.8 71.7 1.0 C02 D:9TY404 3.9 90.5 1.0 HD23 D:LEU192 4.2 67.2 1.0 O01 D:9TY404 4.2 90.5 1.0 HB3 D:ASP191 4.2 75.4 1.0 OG C:SER254 4.2 80.0 1.0 CG D:GLU195 4.3 68.0 1.0 CB D:ASP191 4.3 75.4 1.0 H4 D:9TY404 4.3 90.5 1.0 HG3 D:GLU195 4.4 68.0 1.0 O D:ASP191 4.4 75.4 1.0 C08 D:9TY404 4.4 90.5 1.0 O09 D:9TY404 4.5 90.5 1.0 HG2 D:GLU195 4.6 68.0 1.0 HB C:THR256 4.6 69.1 1.0 CB C:SER257 4.7 71.7 1.0 C D:ASP191 4.9 75.4 1.0 C07 D:9TY404 4.9 90.5 1.0 H C:SER257 4.9 71.7 1.0 HA C:SER257 5.0 71.7 1.0 HB2 D:ASP191 5.0 75.4 1.0 H3 D:9TY404 5.0 90.5 1.0

Magnesium binding site 9 out of 24 in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg401 b:82.7 occ:1.00 O06 E:9TY403 1.9 90.3 1.0 OE2 E:GLU195 1.9 68.1 1.0 OD2 E:ASP191 2.0 75.9 1.0 C04 E:9TY403 2.4 90.3 1.0 O05 E:9TY403 2.8 90.3 1.0 CD E:GLU195 2.9 68.1 1.0 CG E:ASP191 3.1 75.9 1.0 OE1 E:GLU195 3.3 68.1 1.0 HG F:SER254 3.5 78.9 1.0 C03 E:9TY403 3.5 90.3 1.0 HB2 F:SER257 3.7 71.9 1.0 OD1 E:ASP191 3.7 75.9 1.0 C02 E:9TY403 3.9 90.3 1.0 OG F:SER254 4.1 78.9 1.0 O09 E:9TY403 4.2 90.3 1.0 HD23 E:LEU192 4.2 67.4 1.0 HB3 E:ASP191 4.2 75.9 1.0 CG E:GLU195 4.3 68.1 1.0 CB E:ASP191 4.3 75.9 1.0 H4 E:9TY403 4.3 90.3 1.0 HG3 E:GLU195 4.4 68.1 1.0 O E:ASP191 4.4 75.9 1.0 C08 E:9TY403 4.4 90.3 1.0 O01 E:9TY403 4.5 90.3 1.0 HB F:THR256 4.5 69.2 1.0 HG2 E:GLU195 4.6 68.1 1.0 CB F:SER257 4.7 71.9 1.0 H F:SER257 4.8 71.9 1.0 C E:ASP191 4.9 75.9 1.0 C07 E:9TY403 4.9 90.3 1.0 HA F:SER257 4.9 71.9 1.0 HB2 E:ASP191 5.0 75.9 1.0 H3 E:9TY403 5.0 90.3 1.0

Magnesium binding site 10 out of 24 in the 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of 323 K Cryoem Structure of Sso-Kari in Complex with MG2+, Nadh and Cpd within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg404 b:91.0 occ:1.00 O01 F:9TY404 1.9 89.7 1.0 O09 F:9TY404 2.0 89.7 1.0 OD1 F:ASP191 2.1 75.0 1.0 C02 F:9TY404 2.3 89.7 1.0 OE2 E:GLU227 2.7 83.1 1.0 CG F:ASP191 3.3 75.0 1.0 HA F:ASP191 3.4 75.0 1.0 OE1 E:GLU227 3.5 83.1 1.0 CD E:GLU227 3.5 83.1 1.0 OE2 E:GLU233 3.8 93.6 1.0 OE1 E:GLU233 3.8 93.6 1.0 C03 F:9TY404 3.8 89.7 1.0 OD2 F:ASP191 4.1 75.0 1.0 CD E:GLU233 4.2 93.6 1.0 CB F:ASP191 4.2 75.0 1.0 CA F:ASP191 4.2 75.0 1.0 HH11 F:ARG130 4.2 98.7 1.0 HD3 F:ARG130 4.3 98.7 1.0 NH1 F:ARG130 4.3 98.7 1.0 HB2 F:ASP191 4.4 75.0 1.0 HH12 F:ARG130 4.4 98.7 1.0 H3 F:9TY404 4.5 89.7 1.0 O05 F:9TY404 4.5 89.7 1.0 H2 F:9TY404 4.6 89.7 1.0 O F:ASP191 4.6 75.0 1.0 HB2 F:SER194 4.7 67.1 1.0 C04 F:9TY404 4.7 89.7 1.0 CZ F:ARG130 4.7 98.7 1.0 C08 F:9TY404 4.7 89.7 1.0 HG F:SER194 4.7 67.1 1.0 C07 F:9TY404 4.8 89.7 1.0 OE2 F:GLU195 4.9 67.5 1.0 CG E:GLU227 4.9 83.1 1.0 C F:ASP191 5.0 75.0 1.0 HG3 F:GLU195 5.0 67.5 1.0

C.Y.Chen, Y.C.Chang, B.L.Lin, C.H.Huang, M.D.Tsai. Temperature-Resolved Cryo-Em Uncovers Structural Bases of Temperature-Dependent Enzyme Functions. J.Am.Chem.Soc. V. 141 19983 2019.
ISSN: ESSN 1520-5126
PubMed: 31829582
DOI: 10.1021/JACS.9B10687