Magnesium in PDB 3luf: Structure of Probable Two-Component System Response Regulator/Ggdef Domain Protein

The structure of Structure of Probable Two-Component System Response Regulator/Ggdef Domain Protein, PDB code: 3luf was solved by U.A.Ramagopal, R.Toro, S.K.Burley, S.C.Almo, New York Sgx Research Centerfor Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.76
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.195, 53.699, 57.887, 75.39, 80.99, 77.41
R / Rfree (%)	18.7 / 22.6

The binding sites of Magnesium atom in the Structure of Probable Two-Component System Response Regulator/Ggdef Domain Protein (pdb code 3luf). 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 Probable Two-Component System Response Regulator/Ggdef Domain Protein, PDB code: 3luf:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of Probable 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 Structure of Probable Two-Component System Response Regulator/Ggdef Domain Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg300 b:12.0 occ:1.00 OD1 A:ASP130 2.0 13.4 1.0 O A:HOH341 2.0 16.4 1.0 OD2 A:ASP174 2.0 15.1 1.0 O A:HOH343 2.0 14.6 1.0 O A:HOH342 2.1 13.2 1.0 O A:TYR176 2.1 10.9 1.0 CG A:ASP174 3.0 13.0 1.0 CG A:ASP130 3.1 14.1 1.0 C A:TYR176 3.3 11.3 1.0 OD1 A:ASP174 3.4 15.4 1.0 OD2 A:ASP130 3.5 19.0 1.0 N A:TYR176 4.0 12.0 1.0 OD1 A:ASP129 4.0 12.5 1.0 CA A:TYR176 4.1 12.1 1.0 O A:HOH296 4.1 25.6 1.0 CG A:MSE177 4.2 9.3 1.0 CB A:TYR176 4.3 11.5 1.0 CB A:ASP174 4.3 11.1 1.0 N A:MSE177 4.3 12.5 1.0 N A:ASP130 4.4 11.6 1.0 CB A:ASP130 4.4 13.1 1.0 CD2 A:TYR176 4.5 14.9 1.0 CA A:MSE177 4.6 11.7 1.0 N A:SER131 4.7 12.8 1.0 CA A:ASP130 4.9 12.8 1.0 CG A:TYR176 4.9 11.8 1.0

Magnesium binding site 2 out of 4 in the Structure of Probable 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 Structure of Probable Two-Component System Response Regulator/Ggdef Domain Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:12.9 occ:1.00 OG1 A:THR55 2.0 13.3 1.0 O A:HOH340 2.0 13.0 1.0 O A:THR55 2.1 12.6 1.0 OD2 A:ASP10 2.1 13.9 1.0 OD2 A:ASP53 2.1 12.4 1.0 O A:HOH338 2.1 11.1 1.0 C A:THR55 3.0 13.2 1.0 CB A:THR55 3.0 13.7 1.0 CG A:ASP53 3.1 13.2 1.0 CG A:ASP10 3.1 13.4 1.0 OD1 A:ASP10 3.4 14.1 1.0 OD1 A:ASP53 3.4 13.4 1.0 CA A:THR55 3.5 13.4 1.0 OE2 A:GLU9 3.8 13.0 1.0 N A:THR55 4.0 13.4 1.0 N A:LEU56 4.1 11.9 1.0 O A:HOH318 4.2 24.8 1.0 NZ A:LYS101 4.3 13.5 1.0 CG2 A:THR55 4.4 15.7 1.0 CB A:ASP53 4.4 11.0 1.0 N A:ASP10 4.4 11.6 1.0 CB A:ASP10 4.5 12.6 1.0 CA A:LEU56 4.5 11.2 1.0 CD A:GLU9 4.8 10.7 1.0 N A:SER11 4.9 13.4 1.0 CA A:ASP10 4.9 12.7 1.0 CD2 A:LEU56 4.9 9.3 1.0

Magnesium binding site 3 out of 4 in the Structure of Probable 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 Structure of Probable Two-Component System Response Regulator/Ggdef Domain Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg300 b:22.2 occ:1.00 OD1 B:ASP130 2.0 25.5 1.0 OD2 B:ASP174 2.0 19.0 1.0 O B:TYR176 2.1 23.7 1.0 O B:HOH339 2.1 20.9 1.0 O B:HOH292 2.1 25.6 1.0 O B:HOH321 2.1 25.4 1.0 CG B:ASP174 3.0 19.8 1.0 CG B:ASP130 3.0 25.5 1.0 C B:TYR176 3.3 23.8 1.0 OD1 B:ASP174 3.3 24.1 1.0 OD2 B:ASP130 3.4 28.7 1.0 CA B:TYR176 4.1 25.4 1.0 OD1 B:ASP129 4.1 23.9 1.0 CG B:MSE177 4.2 17.4 1.0 CB B:TYR176 4.2 27.1 1.0 N B:TYR176 4.2 23.5 1.0 N B:ASP130 4.3 19.9 1.0 N B:MSE177 4.3 22.7 1.0 CB B:ASP174 4.3 16.7 1.0 CB B:ASP130 4.3 22.4 1.0 OG B:SER131 4.4 27.4 0.7 CA B:MSE177 4.5 22.1 1.0 CA B:ASP130 4.8 22.7 1.0 N B:SER131 4.8 24.6 0.7 N B:SER131 4.8 24.2 0.3 CG B:TYR176 4.9 31.9 1.0 CB B:MSE177 5.0 21.2 1.0 CD2 B:TYR176 5.0 36.8 1.0

Magnesium binding site 4 out of 4 in the Structure of Probable 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 Structure of Probable Two-Component System Response Regulator/Ggdef Domain Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:10.9 occ:1.00 OD1 B:ASP10 2.1 11.8 1.0 O B:HOH274 2.1 14.0 1.0 OD2 B:ASP53 2.1 12.8 1.0 O B:THR55 2.1 12.8 1.0 OG1 B:THR55 2.1 13.2 1.0 O B:HOH272 2.1 13.4 1.0 C B:THR55 3.0 12.3 1.0 CG B:ASP53 3.0 14.1 1.0 CG B:ASP10 3.0 11.3 1.0 CB B:THR55 3.1 12.6 1.0 OD2 B:ASP10 3.3 13.4 1.0 OD1 B:ASP53 3.4 13.3 1.0 CA B:THR55 3.5 12.6 1.0 OE2 B:GLU9 3.8 11.7 1.0 N B:THR55 4.0 12.2 1.0 N B:LEU56 4.1 11.1 1.0 O B:HOH322 4.3 24.1 1.0 NZ B:LYS101 4.3 11.7 1.0 CB B:ASP53 4.4 11.7 1.0 CB B:ASP10 4.4 9.6 1.0 N B:ASP10 4.4 9.7 1.0 CG2 B:THR55 4.4 12.2 1.0 CA B:LEU56 4.5 11.2 1.0 CD B:GLU9 4.7 11.1 1.0 N B:SER11 4.8 10.0 1.0 CA B:ASP10 4.8 10.1 1.0 CD2 B:LEU56 4.9 7.9 1.0

U.A.Ramagopal, R.Toro, S.K.Burley, S.C.Almo. Structure of Probable Two-Component System Response Regulator/Ggdef Domain Protein To Be Published.