Magnesium in PDB 8a8m: Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6

All present enzymatic activity of Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6:
2.7.11.24; 2.7.12.2;

The binding sites of Magnesium atom in the Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6 (pdb code 8a8m). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6, PDB code: 8a8m:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:0.0 occ:1.00 NZ A:LYS152 2.9 199.1 1.0 C3A A:AP2900 3.0 0.0 1.0 O3B A:AP2900 3.1 0.0 1.0 CE A:LYS152 3.1 195.0 1.0 PB A:AP2900 3.7 0.0 1.0 C5' A:AP2900 3.7 0.0 1.0 OD2 A:ASP150 4.0 190.1 1.0 O3' A:AP2900 4.1 0.0 1.0 O2B A:AP2900 4.3 0.0 1.0 CD A:LYS152 4.4 188.7 1.0 MG A:MG902 4.4 0.0 1.0 PA A:AP2900 4.5 0.0 1.0 C4' A:AP2900 4.5 0.0 1.0 O5' A:AP2900 4.6 0.0 1.0 O A:SER154 4.7 179.8 1.0 C3' A:AP2900 4.7 0.0 1.0 OD2 A:ASP168 4.9 159.3 1.0 OD1 A:ASN155 5.0 194.4 1.0 O1B A:AP2900 5.0 0.0 1.0

Magnesium binding site 2 out of 4 in the Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:0.0 occ:1.00 O1B A:AP2900 2.6 0.0 1.0 O3B A:AP2900 2.8 0.0 1.0 OD2 A:ASP168 2.8 159.3 1.0 PB A:AP2900 3.0 0.0 1.0 OD1 A:ASP168 3.0 168.6 1.0 CG A:LEU171 3.1 164.7 1.0 CD1 A:LEU171 3.2 170.5 1.0 CD2 A:LEU171 3.3 169.9 1.0 CG A:ASP168 3.3 171.8 1.0 C3A A:AP2900 3.4 0.0 1.0 O A:GLY170 4.3 162.2 1.0 MG A:MG901 4.4 0.0 1.0 CB A:LEU171 4.5 167.6 1.0 O2B A:AP2900 4.5 0.0 1.0 CB A:ASP168 4.8 184.9 1.0 PA A:AP2900 4.9 0.0 1.0

Magnesium binding site 3 out of 4 in the Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:0.0 occ:1.00 N B:GLY199 2.9 219.8 1.0 OD1 B:ASP197 2.9 184.6 1.0 CA B:ASP197 3.1 191.8 1.0 C B:ASP197 3.2 201.6 1.0 CA B:GLY199 3.3 224.8 1.0 CE2 B:TYR64 3.3 172.6 1.0 CB B:ASP197 3.4 188.0 1.0 CG B:ASP197 3.5 185.0 1.0 O B:ASP197 3.5 206.8 1.0 N B:PHE198 3.6 195.8 1.0 NZ B:LYS82 3.9 169.7 1.0 O2A B:AP2401 4.0 0.0 1.0 C B:PHE198 4.0 209.5 1.0 OH B:TYR64 4.1 189.1 1.0 CD2 B:TYR64 4.2 171.9 1.0 CZ B:TYR64 4.2 174.6 1.0 C B:GLY199 4.3 224.2 1.0 OD2 B:ASP99 4.4 224.8 1.0 N B:ILE200 4.4 242.9 1.0 CA B:PHE198 4.4 196.5 1.0 N B:ASP197 4.5 191.3 1.0 OD2 B:ASP197 4.7 186.8 1.0 CG B:ASP99 4.8 226.0 1.0 OD1 B:ASP99 4.8 223.3 1.0 CG1 B:ILE200 5.0 242.9 1.0 CE B:LYS82 5.0 166.6 1.0

Magnesium binding site 4 out of 4 in the Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of the Mapk P38ALPHA in Complex with Its Activating MAP2K MKK6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:0.0 occ:1.00 O2A B:AP2401 2.7 0.0 1.0 C3A B:AP2401 3.2 0.0 1.0 PA B:AP2401 3.4 0.0 1.0 OD2 B:ASP197 3.7 186.8 1.0 OG B:SER183 3.7 195.6 1.0 CG B:ASP197 3.7 185.0 1.0 CB B:ASP197 4.0 188.0 1.0 O5' B:AP2401 4.1 0.0 1.0 OD1 B:ASP197 4.2 184.6 1.0 O1B B:AP2401 4.2 0.0 1.0 CB B:ASN184 4.3 191.9 1.0 OD1 B:ASN184 4.3 190.4 1.0 PB B:AP2401 4.5 0.0 1.0 C5' B:AP2401 4.6 0.0 1.0 CB B:SER183 4.7 187.7 1.0 CG B:ASN184 4.8 190.4 1.0 O1A B:AP2401 4.9 0.0 1.0 CA B:ASN184 4.9 190.4 1.0 N B:ASN184 4.9 190.4 1.0

P.Juyoux, I.Galdadas, D.Gobbo, M.Tully, F.L.Gervasio, E.Pellegrini, M.W.Bowler. Architecture of the MKK6-P38 Alpha Complex Defines the Basis of Mapk Specificity and Activation Biorxiv 2022.
DOI: 10.1101/2022.07.04.498667