Magnesium in PDB 6k5p: Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1

The structure of Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1, PDB code: 6k5p was solved by V.Kumar, M.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.83 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.181, 191.486, 205.332, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.7

The structure of Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1 also contains other interesting chemical elements:

Cobalt	(Co)	2 atoms
Cadmium	(Cd)	14 atoms
Calcium	(Ca)	4 atoms

The binding sites of Magnesium atom in the Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1 (pdb code 6k5p). 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 Mosquito-Larvicidal Binary Toxin Receptor, CQM1, PDB code: 6k5p:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:20.9 occ:1.00 O A:HIS12 2.0 19.4 1.0 O A:HOH795 2.0 29.2 1.0 ND1 A:HIS12 2.0 30.8 1.0 O A:HOH1035 2.2 28.6 1.0 O A:HOH1143 2.6 52.6 1.0 O A:HOH867 2.8 31.7 1.0 C A:HIS12 2.9 18.7 1.0 CE1 A:HIS12 3.0 28.1 1.0 CG A:HIS12 3.1 25.1 1.0 CB A:HIS12 3.5 21.9 1.0 OD2 A:ASP50 3.7 28.0 1.0 CA A:HIS12 3.7 16.6 1.0 N A:ALA13 3.8 22.2 1.0 CA A:ALA13 3.9 22.7 1.0 NE2 A:GLN449 4.0 31.9 1.0 NE2 A:HIS12 4.1 25.3 1.0 O A:HOH838 4.1 24.1 1.0 CD2 A:HIS12 4.2 26.1 1.0 O A:HOH1161 4.4 25.0 1.0 O A:TRP9 4.5 21.4 1.0 C A:ALA13 4.5 23.5 1.0 N A:HIS12 4.5 17.6 1.0 CG A:ASP50 4.7 26.9 1.0 N A:THR14 4.7 16.9 1.0 CG A:GLN449 4.7 25.0 1.0 OG1 A:THR14 4.8 18.1 1.0 CD A:GLN449 4.8 29.7 1.0 OD1 A:ASP50 4.8 21.3 1.0

Magnesium binding site 2 out of 4 in the Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:21.2 occ:1.00 O B:HIS12 2.0 19.6 1.0 O B:HOH937 2.0 24.9 1.0 O B:HOH1021 2.1 35.5 1.0 ND1 B:HIS12 2.1 29.4 1.0 O B:HOH958 2.2 28.9 1.0 O B:HOH789 2.4 26.8 1.0 C B:HIS12 2.9 25.1 1.0 CE1 B:HIS12 3.0 27.1 1.0 CG B:HIS12 3.1 23.4 1.0 CB B:HIS12 3.5 20.8 1.0 OD2 B:ASP50 3.7 31.3 1.0 N B:ALA13 3.7 19.0 1.0 CA B:HIS12 3.7 25.6 1.0 CA B:ALA13 3.9 18.9 1.0 NE2 B:GLN449 4.0 36.1 1.0 NE2 B:HIS12 4.2 24.7 1.0 CD2 B:HIS12 4.2 28.2 1.0 O B:HOH858 4.4 24.4 1.0 O B:TRP9 4.4 19.6 1.0 C B:ALA13 4.4 21.2 1.0 N B:HIS12 4.5 16.4 1.0 CG B:ASP50 4.6 25.9 1.0 O B:HOH1177 4.7 29.9 1.0 N B:THR14 4.7 14.5 1.0 OG1 B:THR14 4.8 18.7 1.0 CD B:GLN449 4.8 29.2 1.0 CG B:GLN449 4.8 22.1 1.0 OD1 B:ASP50 4.9 19.9 1.0

Magnesium binding site 3 out of 4 in the Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:26.9 occ:1.00 O C:HOH704 2.0 32.9 1.0 O C:HIS12 2.1 26.3 1.0 O C:HOH1006 2.1 32.3 1.0 ND1 C:HIS12 2.2 36.8 1.0 O C:HOH754 2.5 34.5 1.0 O C:HOH1070 2.6 62.1 1.0 C C:HIS12 3.0 29.3 1.0 CE1 C:HIS12 3.1 39.0 1.0 CG C:HIS12 3.2 34.5 1.0 CB C:HIS12 3.5 26.6 1.0 OD2 C:ASP50 3.6 41.1 1.0 CA C:HIS12 3.8 29.4 1.0 N C:ALA13 3.8 29.9 1.0 NE2 C:GLN449 3.9 38.8 1.0 CA C:ALA13 4.0 27.5 1.0 O C:HOH912 4.2 32.0 1.0 NE2 C:HIS12 4.2 36.4 1.0 CD2 C:HIS12 4.3 36.1 1.0 O C:TRP9 4.3 30.4 1.0 C C:ALA13 4.5 22.9 1.0 N C:HIS12 4.5 26.6 1.0 CG C:ASP50 4.6 32.1 1.0 CG C:GLN449 4.7 27.4 1.0 CD C:GLN449 4.7 34.4 1.0 O C:HOH1107 4.7 41.9 1.0 N C:THR14 4.7 24.3 1.0 OG1 C:THR14 4.8 30.9 1.0 OD1 C:ASP50 4.9 32.2 1.0

Magnesium binding site 4 out of 4 in the Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Mosquito-Larvicidal Binary Toxin Receptor, CQM1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg601 b:20.4 occ:1.00 O D:HIS12 2.0 21.3 1.0 O D:HOH748 2.1 28.6 1.0 O D:HOH1051 2.2 30.2 1.0 ND1 D:HIS12 2.2 30.1 1.0 O D:HOH839 2.3 37.8 1.0 O D:HOH1132 2.5 44.6 1.0 C D:HIS12 2.9 22.5 1.0 CE1 D:HIS12 3.1 32.5 1.0 CG D:HIS12 3.2 24.5 1.0 CB D:HIS12 3.5 26.3 1.0 OD2 D:ASP50 3.6 33.4 1.0 N D:ALA13 3.7 21.4 1.0 CA D:HIS12 3.7 22.7 1.0 NE2 D:GLN449 3.8 34.1 1.0 CA D:ALA13 3.9 20.0 1.0 NE2 D:HIS12 4.3 30.6 1.0 O D:HOH822 4.3 25.8 1.0 CD2 D:HIS12 4.3 32.6 1.0 O D:TRP9 4.4 26.7 1.0 C D:ALA13 4.4 19.9 1.0 N D:HIS12 4.5 19.3 1.0 O D:HOH1177 4.5 32.4 1.0 CG D:ASP50 4.6 25.6 1.0 CD D:GLN449 4.6 26.5 1.0 N D:THR14 4.6 18.8 1.0 OG1 D:THR14 4.6 21.2 1.0 CG D:GLN449 4.8 25.5 1.0 OD1 D:ASP50 4.8 20.9 1.0

M.Sharma, V.Kumar. Crystal Structure of Binab Toxin Receptor (CQM1) Protein and Molecular Dynamics Simulations Reveal the Role of Unique Ca(II) Ion. Int.J.Biol.Macromol. 2019.
ISSN: ISSN 0141-8130
PubMed: 31449868
DOI: 10.1016/J.IJBIOMAC.2019.08.126