Magnesium in PDB 3mf4: Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein

The structure of Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein, PDB code: 3mf4 was solved by V.N.Malashkevich, R.Toro, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgxresearch Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	40.919, 53.269, 57.908, 61.95, 81.09, 78.76
R / Rfree (%)	22.2 / 27.3

The binding sites of Magnesium atom in the Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein (pdb code 3mf4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein, PDB code: 3mf4:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg300 b:5.5 occ:1.00 O A:HOH343 1.8 8.3 1.0 O A:HOH342 2.0 4.3 1.0 O A:TYR176 2.0 3.4 1.0 O A:HOH341 2.1 8.7 1.0 OD2 A:ASP174 2.1 8.0 1.0 OD1 A:ASP130 2.1 3.0 1.0 CG A:ASP130 3.1 2.0 1.0 CG A:ASP174 3.1 6.3 1.0 C A:TYR176 3.2 4.2 1.0 OD2 A:ASP130 3.5 4.4 1.0 OD1 A:ASP174 3.5 7.9 1.0 CA A:TYR176 4.0 3.9 1.0 N A:TYR176 4.1 3.0 1.0 OD1 A:ASP129 4.1 6.8 1.0 CB A:TYR176 4.2 4.2 1.0 CG A:MSE177 4.2 5.5 1.0 O A:HOH296 4.2 18.1 1.0 N A:MSE177 4.3 4.6 1.0 CB A:ASP130 4.4 3.5 1.0 CB A:ASP174 4.4 7.0 1.0 N A:ASP130 4.4 3.6 1.0 CD2 A:TYR176 4.5 5.2 1.0 CA A:MSE177 4.5 5.8 1.0 N A:SER131 4.7 3.3 1.0 CG A:TYR176 4.8 7.0 1.0 CA A:ASP130 4.8 3.5 1.0 CB A:MSE177 4.9 8.4 1.0 O A:HOH369 5.0 30.0 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:10.4 occ:1.00 O A:HOH340 2.0 3.7 1.0 OD2 A:ASP10 2.0 9.6 1.0 OD2 A:ASP53 2.1 7.4 1.0 OG1 A:THR55 2.1 13.9 1.0 O A:THR55 2.2 6.2 1.0 O A:HOH338 2.2 7.9 1.0 CG A:ASP10 3.0 8.9 1.0 C A:THR55 3.1 5.4 1.0 CG A:ASP53 3.1 7.8 1.0 CB A:THR55 3.2 6.1 1.0 OD1 A:ASP10 3.3 8.7 1.0 OD1 A:ASP53 3.5 6.0 1.0 CA A:THR55 3.6 5.6 1.0 OE2 A:GLU9 3.8 5.7 1.0 N A:THR55 4.1 6.2 1.0 N A:LEU56 4.1 5.2 1.0 O A:HOH318 4.1 13.8 1.0 CB A:ASP53 4.4 4.7 1.0 CB A:ASP10 4.4 8.4 1.0 N A:ASP10 4.4 6.8 1.0 NZ A:LYS101 4.4 9.6 1.0 CG2 A:THR55 4.5 13.0 1.0 CA A:LEU56 4.5 5.3 1.0 CD A:GLU9 4.7 6.6 1.0 N A:SER11 4.8 9.4 1.0 CD2 A:LEU56 4.8 4.2 1.0 CA A:ASP10 4.8 7.7 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg300 b:20.0 occ:1.00 O B:HOH321 1.9 9.4 1.0 OD2 B:ASP174 2.1 7.9 1.0 O B:HOH292 2.1 24.4 1.0 OD1 B:ASP130 2.1 12.7 1.0 O B:TYR176 2.1 14.4 1.0 O B:HOH339 2.1 12.9 1.0 CG B:ASP174 3.1 10.5 1.0 CG B:ASP130 3.1 13.2 1.0 C B:TYR176 3.3 14.9 1.0 OD1 B:ASP174 3.4 7.5 1.0 OD2 B:ASP130 3.5 13.5 1.0 CA B:TYR176 3.9 15.8 1.0 CB B:TYR176 4.0 17.7 1.0 OD1 B:ASP129 4.0 9.7 1.0 N B:TYR176 4.1 14.9 1.0 CG B:MSE177 4.3 3.1 1.0 N B:MSE177 4.3 14.6 1.0 OG B:SER131 4.4 39.8 0.7 CB B:ASP174 4.4 7.7 1.0 N B:ASP130 4.4 6.7 1.0 CB B:ASP130 4.5 11.3 1.0 N B:SER131 4.7 9.3 0.3 CA B:MSE177 4.7 14.9 1.0 N B:SER131 4.7 9.6 0.7 CA B:ASP130 4.8 8.9 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:3.7 occ:1.00 OD2 B:ASP53 1.9 3.7 1.0 O B:THR55 2.0 4.5 1.0 OG1 B:THR55 2.0 3.4 1.0 O B:HOH274 2.1 2.0 1.0 OD1 B:ASP10 2.1 4.1 1.0 O B:HOH272 2.2 5.0 1.0 CG B:ASP53 3.0 2.0 1.0 C B:THR55 3.0 4.8 1.0 CB B:THR55 3.1 3.7 1.0 CG B:ASP10 3.1 9.8 1.0 OD1 B:ASP53 3.3 4.4 1.0 OD2 B:ASP10 3.5 3.8 1.0 CA B:THR55 3.5 4.5 1.0 OE2 B:GLU9 3.9 4.2 1.0 N B:THR55 4.0 4.5 1.0 N B:LEU56 4.1 4.1 1.0 O B:HOH322 4.1 19.3 1.0 CB B:ASP53 4.3 3.7 1.0 NZ B:LYS101 4.4 12.7 1.0 CG2 B:THR55 4.4 3.7 1.0 CA B:LEU56 4.4 4.7 1.0 N B:ASP10 4.5 4.8 1.0 CB B:ASP10 4.5 3.5 1.0 CD B:GLU9 4.8 4.6 1.0 CD2 B:LEU56 4.9 2.8 1.0 CA B:ASP10 4.9 4.1 1.0 N B:SER11 4.9 4.5 1.0

V.N.Malashkevich, R.Toro, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Putative Two-Component System Response Regulator/Ggdef Domain Protein To Be Published.