Magnesium in PDB 7d75: X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant

The structure of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant, PDB code: 7d75 was solved by R.Manjula, S.Ramaswamy, S.Gosavi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.95 / 2.50
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	45.794, 55.783, 105.831, 90, 93.63, 90
R / Rfree (%)	26.2 / 30.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Magnesium atom in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant (pdb code 7d75). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 18 binding sites of Magnesium where determined in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant, PDB code: 7d75:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 18 in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg108 b:60.7 occ:1.00 CG A:ARG39 3.6 45.8 1.0 N A:ARG39 3.7 46.6 1.0 CD1 A:ILE8 3.9 55.9 1.0 CB A:ARG39 4.2 35.3 1.0 CB A:ILE38 4.2 38.6 1.0 CA A:ILE38 4.3 40.9 1.0 CD A:ARG39 4.4 48.4 1.0 NH1 A:ARG39 4.4 76.3 1.0 CG2 A:ILE38 4.5 43.8 1.0 C A:ILE38 4.5 44.5 1.0 CA A:ARG39 4.6 35.7 1.0

Magnesium binding site 2 out of 18 in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg109 b:59.0 occ:1.00 N A:PHE11 3.4 33.5 1.0 CD A:PRO10 3.5 43.4 1.0 CB A:PHE11 3.7 34.9 1.0 N A:PRO10 3.7 51.4 1.0 CA A:PHE11 4.2 25.8 1.0 CG A:PRO10 4.2 40.5 1.0 CB A:PRO10 4.3 39.2 1.0 C A:GLY9 4.3 50.6 1.0 C A:PRO10 4.3 36.5 1.0 CA A:PRO10 4.4 41.8 1.0 CA A:GLY9 4.5 46.7 1.0 OD1 A:ASP7 4.9 78.0 1.0 CG A:PHE11 5.0 34.8 1.0

Magnesium binding site 3 out of 18 in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg110 b:52.9 occ:1.00 N A:ASP49 3.4 34.4 1.0 CB A:ASP49 3.9 37.3 1.0 CG A:ASP49 3.9 45.8 1.0 OD1 A:ASP49 4.1 41.2 1.0 CB A:GLU48 4.1 40.4 1.0 CA A:GLU48 4.2 42.1 1.0 CA A:ASP49 4.2 32.6 1.0 C A:GLU48 4.3 37.4 1.0 OD2 A:ASP49 4.3 52.1 1.0 O A:ASP49 4.8 42.7 1.0 CE2 A:TYR73 4.9 41.5 1.0 CZ A:TYR73 5.0 51.3 1.0

Magnesium binding site 4 out of 18 in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg111 b:64.3 occ:1.00 O A:ARG78 3.1 33.3 1.0 OE1 B:GLU22 3.2 58.4 1.0 CD B:GLU22 4.0 53.7 1.0 CZ B:PHE18 4.1 37.1 1.0 CA A:LYS79 4.1 34.9 1.0 C A:ARG78 4.2 35.7 1.0 OE2 B:GLU22 4.5 53.9 1.0 N A:LYS79 4.7 33.8 1.0 CE1 B:PHE18 4.7 32.2 1.0 CB A:LYS79 4.7 40.7 1.0 CG A:LYS79 4.8 48.1 1.0 N A:LEU80 4.9 31.0 1.0 CG B:GLU22 4.9 43.4 1.0

Magnesium binding site 5 out of 18 in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg112 b:56.5 occ:1.00 OG1 A:THR33 3.0 58.6 1.0 CB A:THR33 3.9 44.9 1.0 OG B:SER61 4.1 55.1 1.0 CB B:SER61 4.3 49.0 1.0 CA B:SER61 4.5 49.8 1.0 CG2 A:THR33 4.6 43.3 1.0

Magnesium binding site 6 out of 18 in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg105 b:63.9 occ:1.00 O B:HOH210 2.1 54.7 1.0 CA B:GLY9 3.5 48.0 1.0 N B:PHE11 3.6 45.5 1.0 CD B:PRO10 3.6 46.7 1.0 N B:PRO10 3.6 46.5 1.0 C B:GLY9 3.7 45.3 1.0 CB B:PHE11 3.7 43.0 1.0 N B:GLY9 3.8 46.0 1.0 CA B:PHE11 4.3 42.4 1.0 O B:GLY9 4.4 43.4 1.0 C B:PRO10 4.5 43.3 1.0 CA B:PRO10 4.6 47.3 1.0 N B:THR12 4.6 39.3 1.0 CG B:PRO10 4.8 48.7 1.0 O B:ASP7 4.9 50.9 1.0 C B:PHE11 5.0 38.3 1.0

Magnesium binding site 7 out of 18 in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg106 b:56.1 occ:1.00 N B:ASP49 3.5 40.8 1.0 CG B:ASP49 3.7 42.0 1.0 OD1 B:ASP49 3.8 45.9 1.0 OD2 B:ASP49 3.9 47.1 1.0 CB B:ASP49 4.0 32.9 1.0 CA B:GLU48 4.1 36.8 1.0 CB B:GLU48 4.2 38.4 1.0 C B:GLU48 4.3 31.5 1.0 CA B:ASP49 4.4 38.2 1.0

Magnesium binding site 8 out of 18 in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg107 b:49.3 occ:1.00 N B:ILE5 3.7 33.7 1.0 N D:ILE5 3.8 35.8 1.0 CG1 B:ILE5 4.0 32.3 1.0 CG1 D:ILE5 4.1 37.8 1.0 CA D:GLU4 4.2 33.9 1.0 CB B:ILE5 4.3 41.6 1.0 CA B:GLU4 4.3 35.1 1.0 CB D:ILE5 4.5 37.7 1.0 C D:GLU4 4.5 26.3 1.0 C B:GLU4 4.5 34.3 1.0 CA B:ILE5 4.6 32.6 1.0 CB D:GLU4 4.6 26.9 1.0 CB B:GLU4 4.6 25.8 1.0 O B:ILE5 4.6 40.2 1.0 C3 D:MES101 4.7 60.2 1.0 CA D:ILE5 4.7 34.1 1.0 O D:ILE5 5.0 35.4 1.0

Magnesium binding site 9 out of 18 in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg108 b:48.5 occ:1.00 N B:ARG39 3.1 43.0 1.0 CG B:ARG39 3.6 50.4 1.0 CB B:ARG39 3.7 33.0 1.0 CB B:ILE38 3.7 33.6 1.0 CD B:ARG39 3.8 50.4 1.0 CA B:ILE38 3.8 35.8 1.0 NH1 B:ARG39 3.8 61.1 1.0 C B:ILE38 3.9 39.8 1.0 CA B:ARG39 4.0 31.6 1.0 CD1 B:ILE8 4.2 47.9 1.0 CG2 B:ILE38 4.3 36.9 1.0 NE B:ARG39 4.7 61.8 1.0 O B:ARG39 4.8 34.8 1.0 CZ B:ARG39 4.8 57.6 1.0 C B:ARG39 4.9 29.4 1.0 CG1 B:ILE38 4.9 32.8 1.0

Magnesium binding site 10 out of 18 in the X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of X-Ray Structure of A Domain-Swapped Dimer of Monellin Loop-1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg109 b:64.0 occ:1.00 OG1 B:THR33 3.4 69.7 1.0 OG A:SER61 3.7 60.9 1.0 CB B:THR33 4.1 63.0 1.0 CB A:SER61 4.1 57.1 1.0 CA A:SER61 4.4 57.3 1.0 CG2 B:THR33 4.9 47.2 1.0

R.Manjula, S.Gosavi, R.Subramanian. Domain Swapped Structure of Monellin LOOP1-Mutant To Be Published.