Magnesium in PDB 6l4n: Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif

The structure of Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif, PDB code: 6l4n 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)	41.87 / 2.43
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.96, 47.96, 85.87, 90, 90, 90
R / Rfree (%)	19.6 / 25.3

The binding sites of Magnesium atom in the Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif (pdb code 6l4n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif, PDB code: 6l4n:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:18.3 occ:1.00 MG A:MG102 3.5 33.7 1.0 N A:PHE12 3.6 26.2 1.0 CD A:PRO11 3.6 20.7 1.0 N A:PRO11 3.7 22.4 1.0 CB A:PHE12 3.7 26.6 1.0 CA A:GLY10 3.8 21.4 1.0 C A:GLY10 3.8 26.8 1.0 CA A:PHE12 4.3 22.1 1.0 N A:GLY10 4.4 24.1 1.0 O A:ILE9 4.4 37.1 1.0 C A:PRO11 4.5 23.2 1.0 CA A:PRO11 4.5 17.4 1.0 O A:GLY10 4.6 27.6 1.0 C A:ILE9 4.6 33.6 1.0 CG A:PRO11 4.6 16.5 1.0 CB A:PRO11 4.7 16.8 1.0

Magnesium binding site 2 out of 4 in the Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:33.7 occ:1.00 N A:THR13 2.7 22.1 1.0 O A:ASP8 2.8 35.1 1.0 OG1 A:THR13 2.9 28.6 1.0 CG2 A:THR13 3.1 22.2 1.0 N A:GLY10 3.2 24.1 1.0 CB A:PHE12 3.3 26.6 1.0 CB A:THR13 3.3 26.0 1.0 C A:ILE9 3.3 33.6 1.0 MG A:MG101 3.5 18.3 1.0 CA A:ILE9 3.5 29.5 1.0 O A:GLY10 3.5 27.6 1.0 CA A:THR13 3.6 24.3 1.0 C A:PHE12 3.6 25.6 1.0 N A:PHE12 3.7 26.2 1.0 C A:GLY10 3.7 26.8 1.0 CA A:PHE12 3.7 22.1 1.0 CA A:GLY10 3.8 21.4 1.0 CD2 A:PHE12 3.8 24.1 1.0 C A:ASP8 3.8 36.6 1.0 O A:ILE9 4.0 37.1 1.0 CG A:PHE12 4.0 24.7 1.0 N A:ILE9 4.1 30.6 1.0 N A:PRO11 4.5 22.4 1.0 C A:PRO11 4.6 23.2 1.0 CB A:ILE9 4.7 33.1 1.0 O A:PHE12 4.8 29.9 1.0 C A:THR13 4.8 29.5 1.0 N A:GLN14 4.9 26.4 1.0 CD1 A:ILE7 5.0 34.8 1.0

Magnesium binding site 3 out of 4 in the Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg103 b:44.7 occ:1.00 O B:HOH126 2.2 36.4 1.0 CE B:LYS37 3.6 46.1 1.0 NZ B:LYS37 3.8 43.0 1.0 CE2 A:TYR60 4.2 36.7 1.0 CD2 A:TYR60 4.2 36.9 1.0 CZ A:TYR60 4.4 37.0 1.0 CG A:TYR60 4.4 41.5 1.0 CE1 A:TYR60 4.5 34.2 1.0 CD1 A:TYR60 4.6 35.0 1.0 OH A:TYR60 5.0 37.7 1.0

Magnesium binding site 4 out of 4 in the Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Domain Swapped Dimer of Monellin LOOP1 Mutant with Qvpag Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg104 b:36.5 occ:1.00 O A:HOH211 2.6 33.9 1.0 OD1 A:ASP22 2.9 28.4 1.0 ND2 A:ASN25 3.0 27.9 1.0 NH1 A:ARG32 3.5 31.4 0.5 CA A:ASP22 3.6 27.2 1.0 CB A:ASN25 3.7 26.1 1.0 CG A:ASN25 3.8 27.7 1.0 CG A:ASP22 3.9 33.1 1.0 NH2 A:ARG32 4.0 32.2 0.5 CB A:ASP22 4.2 25.9 1.0 O A:VAL21 4.2 29.4 1.0 O A:HOH209 4.2 34.6 1.0 CZ A:ARG32 4.2 31.5 0.5 O A:ASP22 4.3 28.5 1.0 N A:ASP22 4.4 24.6 1.0 C A:ASP22 4.5 27.2 1.0 C A:VAL21 4.6 25.8 1.0 O A:HOH220 4.7 31.9 1.0 OD2 A:ASP22 4.9 36.5 1.0

R.Manjula, S.Ramaswamy, S.Gosavi. Domain Swapped Dimer of Monellin LOPP1 Mutant with Qvpag Motif To Be Published.