Magnesium in PDB 6is2: Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg

The structure of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg, PDB code: 6is2 was solved by Y.Wen, Z.Ouyang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.70 / 1.59
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.589, 45.795, 61.847, 99.72, 102.26, 86.50
R / Rfree (%)	15.5 / 18.8

The binding sites of Magnesium atom in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg (pdb code 6is2). 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 Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg, PDB code: 6is2:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg


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 Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:17.2 occ:1.00 OD2 A:ASP52 2.0 21.3 1.0 OD1 A:ASP9 2.0 20.6 1.0 O A:HOH421 2.1 18.5 1.0 O A:HOH483 2.1 24.3 1.0 O A:MET54 2.1 21.0 1.0 O A:HOH446 2.1 21.6 1.0 CG A:ASP52 3.0 18.1 1.0 CG A:ASP9 3.0 19.8 1.0 C A:MET54 3.3 19.8 1.0 HB2 A:MET54 3.3 29.9 1.0 OD2 A:ASP9 3.4 33.0 1.0 OD1 A:ASP52 3.4 18.7 1.0 H A:ASP9 3.7 16.5 1.0 HD23 A:LEU55 3.8 18.4 1.0 H A:MET54 3.9 19.5 1.0 HZ1 A:LYS101 4.0 21.8 1.0 OE2 A:GLU8 4.0 19.6 1.0 HA A:LEU55 4.0 20.1 1.0 CA A:MET54 4.1 17.1 1.0 CB A:MET54 4.1 25.0 1.0 O A:HOH546 4.1 49.4 1.0 N A:MET54 4.2 16.3 1.0 N A:LEU55 4.3 20.3 1.0 CB A:ASP52 4.3 15.4 1.0 HB3 A:ASP52 4.3 18.5 1.0 HG A:LEU55 4.3 17.8 1.0 CB A:ASP9 4.4 17.9 1.0 HB3 A:MET54 4.4 29.9 1.0 H A:GLU10 4.5 19.5 1.0 N A:ASP9 4.5 13.7 1.0 O A:HOH491 4.5 46.7 1.0 O A:HOH553 4.6 40.1 1.0 CD2 A:LEU55 4.6 15.3 1.0 HD21 A:LEU55 4.6 18.4 1.0 CA A:LEU55 4.6 16.8 1.0 HB2 A:ASP52 4.7 18.5 1.0 HZ2 A:LYS101 4.7 21.8 1.0 HB3 A:ASP9 4.7 21.5 1.0 HB2 A:GLU10 4.7 20.9 1.0 NZ A:LYS101 4.7 18.1 1.0 O A:HOH472 4.8 25.1 1.0 CA A:ASP9 4.9 14.5 1.0 CD A:GLU8 4.9 17.2 1.0 O A:HOH500 4.9 26.3 1.0 N A:GLU10 4.9 16.3 1.0 CG A:LEU55 4.9 14.9 1.0 HA A:MET54 5.0 20.5 1.0 HA A:GLU8 5.0 16.6 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg


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 Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:22.0 occ:1.00 O B:HOH453 2.0 27.0 1.0 OD2 B:ASP52 2.0 24.6 1.0 OD1 B:ASP9 2.0 19.8 1.0 O B:HOH407 2.2 25.7 1.0 O B:MET54 2.2 21.1 1.0 O B:HOH442 2.2 24.9 1.0 CG B:ASP9 3.1 27.9 1.0 CG B:ASP52 3.1 24.5 1.0 HB2 B:MET54 3.4 25.6 1.0 C B:MET54 3.4 22.7 1.0 OD2 B:ASP9 3.4 30.6 1.0 OD1 B:ASP52 3.5 18.6 1.0 H B:ASP9 3.7 19.1 1.0 HD23 B:LEU55 3.8 21.4 1.0 OE2 B:GLU8 3.9 21.4 1.0 HA B:LEU55 4.0 18.0 1.0 H B:MET54 4.0 21.7 1.0 CB B:MET54 4.1 21.4 1.0 CA B:MET54 4.1 17.7 1.0 HB3 B:ASP52 4.3 21.7 1.0 CB B:ASP52 4.3 18.1 1.0 N B:MET54 4.3 18.1 1.0 HB3 B:MET54 4.4 25.6 1.0 H B:GLU10 4.4 22.4 1.0 N B:LEU55 4.4 17.4 1.0 CB B:ASP9 4.4 18.2 1.0 O B:HOH530 4.4 46.8 1.0 HZ2 B:LYS101 4.4 27.2 1.0 N B:ASP9 4.5 16.0 1.0 O B:HOH512 4.5 44.7 1.0 HG B:LEU55 4.5 19.6 1.0 CD2 B:LEU55 4.6 17.8 1.0 CA B:LEU55 4.6 15.0 1.0 HB2 B:ASP52 4.6 21.7 1.0 HB3 B:ASP9 4.7 21.9 1.0 HD21 B:LEU55 4.7 21.4 1.0 HZ1 B:LYS101 4.7 27.2 1.0 O B:HOH431 4.7 27.9 1.0 O B:HOH511 4.7 33.5 1.0 HB2 B:GLU10 4.8 28.6 1.0 N B:GLU10 4.9 18.7 1.0 CA B:ASP9 4.9 16.4 1.0 CD B:GLU8 4.9 24.6 1.0 NZ B:LYS101 4.9 22.7 1.0 HZ3 B:LYS101 4.9 27.2 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg


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 Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:26.5 occ:1.00 OD2 C:ASP52 1.9 29.7 1.0 O C:HOH413 2.0 36.0 1.0 OD1 C:ASP9 2.0 27.6 1.0 O C:HOH420 2.0 30.7 1.0 O C:MET54 2.1 30.9 1.0 O C:HOH438 2.1 26.7 1.0 CG C:ASP52 3.0 37.2 1.0 CG C:ASP9 3.1 34.8 1.0 HB2 C:MET54 3.2 43.3 1.0 C C:MET54 3.2 33.1 1.0 OD1 C:ASP52 3.4 27.9 1.0 OD2 C:ASP9 3.5 40.4 1.0 H C:ASP9 3.6 26.3 1.0 H C:MET54 3.7 33.0 1.0 HD23 C:LEU55 3.8 31.2 1.0 OE2 C:GLU8 3.9 27.5 1.0 CA C:MET54 3.9 32.3 1.0 CB C:MET54 3.9 36.1 1.0 HA C:LEU55 4.0 36.3 1.0 N C:MET54 4.1 27.5 1.0 O C:HOH467 4.1 40.9 1.0 HG C:LEU55 4.2 26.0 1.0 CB C:ASP52 4.3 23.7 1.0 HB3 C:ASP52 4.3 28.5 1.0 N C:LEU55 4.3 30.8 1.0 HB3 C:MET54 4.3 43.3 1.0 N C:ASP9 4.4 21.9 1.0 CB C:ASP9 4.4 23.2 1.0 H C:GLU10 4.4 32.0 1.0 HZ2 C:LYS101 4.4 37.2 1.0 CD2 C:LEU55 4.5 26.0 1.0 HD21 C:LEU55 4.5 31.2 1.0 O C:HOH465 4.5 42.7 1.0 CA C:LEU55 4.6 30.3 1.0 HB2 C:ASP52 4.7 28.5 1.0 HB3 C:ASP9 4.7 27.8 1.0 HZ1 C:LYS101 4.7 37.2 1.0 CD C:GLU8 4.8 25.8 1.0 HZ3 C:LYS101 4.8 37.2 1.0 CG C:LEU55 4.8 21.7 1.0 HB2 C:GLU10 4.8 50.3 1.0 CA C:ASP9 4.8 23.1 1.0 HA C:MET54 4.9 38.8 1.0 HA C:GLU8 4.9 27.6 1.0 NZ C:LYS101 4.9 31.1 1.0 N C:GLU10 4.9 26.7 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg


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 Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:38.3 occ:1.00 OD2 D:ASP52 1.9 74.2 1.0 O D:HOH439 2.0 38.0 1.0 O D:HOH405 2.0 33.6 1.0 O D:MET54 2.1 41.3 1.0 O D:HOH406 2.1 45.5 1.0 OD1 D:ASP9 2.2 44.5 1.0 CG D:ASP52 3.0 45.7 1.0 CG D:ASP9 3.1 43.7 1.0 HB2 D:MET54 3.2 40.3 1.0 C D:MET54 3.3 36.2 1.0 OD2 D:ASP9 3.4 57.5 1.0 OD1 D:ASP52 3.6 34.4 1.0 H D:ASP9 3.7 26.9 1.0 HD23 D:LEU55 3.9 34.0 1.0 H D:MET54 3.9 48.4 1.0 CB D:MET54 3.9 33.6 1.0 HA D:LEU55 3.9 54.1 1.0 OE2 D:GLU8 4.0 30.2 1.0 CA D:MET54 4.0 34.4 1.0 HB3 D:MET54 4.1 40.3 1.0 HB3 D:ASP52 4.2 34.7 1.0 N D:MET54 4.2 40.4 1.0 CB D:ASP52 4.2 29.0 1.0 HG D:LEU55 4.3 35.3 1.0 N D:LEU55 4.3 40.5 1.0 HZ2 D:LYS101 4.4 48.7 1.0 H D:GLU10 4.4 34.9 1.0 CB D:ASP9 4.5 26.1 1.0 N D:ASP9 4.5 22.5 1.0 HB2 D:ASP52 4.6 34.7 1.0 CD2 D:LEU55 4.6 28.3 1.0 CA D:LEU55 4.6 45.1 1.0 HD21 D:LEU55 4.6 34.0 1.0 HB2 D:GLU10 4.6 39.4 1.0 HZ1 D:LYS101 4.6 48.7 1.0 HB3 D:ASP9 4.7 31.3 1.0 HZ3 D:LYS101 4.8 48.7 1.0 NZ D:LYS101 4.8 40.6 1.0 CD D:GLU8 4.9 34.9 1.0 HA D:MET54 4.9 41.3 1.0 N D:GLU10 4.9 29.1 1.0 CG D:LEU55 4.9 29.4 1.0 HA D:GLU8 4.9 26.1 1.0 CA D:ASP9 5.0 23.6 1.0 HD3 D:PRO56 5.0 61.1 1.0

Y.Wen, Z.Ouyang. Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with Mg To Be Published.