Magnesium in PDB 5n78: Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine

The structure of Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine, PDB code: 5n78 was solved by M.Lerche, H.Sandhu, L.Flockner, M.Hogbom, M.Rapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.44 / 2.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.721, 117.316, 91.858, 90.00, 103.14, 90.00
R / Rfree (%)	17.8 / 21.8

The structure of Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine also contains other interesting chemical elements:

Cobalt

(Co)

14 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine (pdb code 5n78). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine, PDB code: 5n78:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine


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 the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:50.5 occ:1.00 O A:HOH403 1.9 77.2 1.0 OD1 A:ASP58 2.2 81.3 1.0 CG A:ASP58 3.3 76.4 1.0 OD2 A:ASP58 4.0 87.0 1.0 O B:GLU142 4.0 62.2 1.0 OD2 B:ASP146 4.1 82.2 1.0 OE2 B:GLU149 4.1 61.1 1.0 OE1 B:GLU149 4.3 73.1 1.0 OE1 A:GLU60 4.3 57.7 1.0 CG B:GLU142 4.3 77.2 1.0 CB A:ASP58 4.4 69.3 1.0 OE2 A:GLU60 4.5 53.2 1.0 CD B:GLU149 4.6 61.6 1.0 CB B:ASP146 4.7 63.2 1.0 CD A:GLU60 4.8 57.3 1.0 N B:ASP146 4.9 49.1 1.0 CG B:ASP146 4.9 75.1 1.0 CA A:ASP58 4.9 64.9 1.0 OE2 B:GLU142 4.9 84.7 1.0 CA B:ASP146 5.0 53.3 1.0 C B:GLU142 5.0 62.8 1.0

Magnesium binding site 2 out of 6 in the Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine


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 the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:69.5 occ:1.00 NE2 D:GLN242 4.3 60.0 1.0 NE2 B:GLN242 4.4 63.5 1.0 OE1 C:GLN242 4.4 59.6 1.0 OE1 B:GLN242 4.4 64.1 1.0 NE2 C:GLN242 4.4 63.4 1.0 CD B:GLN242 4.4 61.9 1.0 NE2 A:GLN242 4.4 65.6 1.0 CD C:GLN242 4.4 60.8 1.0 CD D:GLN242 4.4 61.5 1.0 OE1 E:GLN242 4.5 74.7 1.0 OE1 D:GLN242 4.5 64.5 1.0 NE2 E:GLN242 4.5 64.4 1.0 CD E:GLN242 4.5 68.5 1.0 CD A:GLN242 4.5 65.7 1.0 OE1 A:GLN242 4.6 69.3 1.0

Magnesium binding site 3 out of 6 in the Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine


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 the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:58.5 occ:1.00 O B:HOH402 1.6 64.9 1.0 OD1 B:ASP58 2.4 69.5 1.0 O E:HOH402 2.7 74.7 1.0 CG B:ASP58 3.5 66.6 1.0 OD2 E:ASP146 3.7 69.3 1.0 OE1 B:GLU60 3.7 72.5 1.0 OE1 E:GLU149 3.9 74.3 1.0 OE2 E:GLU149 3.9 71.2 1.0 O E:GLU142 4.1 63.6 1.0 OD2 B:ASP58 4.2 69.5 1.0 CD E:GLU149 4.3 67.9 1.0 CB E:ASP146 4.4 63.6 1.0 CG E:ASP146 4.5 71.7 1.0 CB B:ASP58 4.6 61.9 1.0 CA E:ASP146 4.6 56.9 1.0 N E:ASP146 4.6 54.7 1.0 CG E:GLU142 4.8 69.1 1.0 N3 E:NCO304 4.8 0.8 1.0 CD B:GLU60 4.8 68.0 1.0 CA B:ASP58 5.0 60.8 1.0

Magnesium binding site 4 out of 6 in the Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine


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 the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:54.5 occ:1.00 O C:HOH407 1.6 50.5 1.0 OD1 C:ASP58 2.0 76.5 1.0 O C:HOH401 2.5 70.8 1.0 CG C:ASP58 3.1 70.6 1.0 OD2 C:ASP58 3.7 75.1 1.0 OD2 A:ASP146 3.7 94.7 1.0 OE2 C:GLU60 3.9 74.9 1.0 OE1 A:GLU149 4.0 72.3 1.0 OE2 A:GLU149 4.2 78.2 1.0 CB C:ASP58 4.4 64.9 1.0 O A:GLU142 4.5 65.2 1.0 CD A:GLU149 4.6 67.7 1.0 CG A:ASP146 4.6 81.1 1.0 CB A:ASP146 4.7 66.1 1.0 CA C:ASP58 4.8 63.7 1.0 CD C:GLU60 4.8 69.8 1.0 CG A:GLU142 4.8 76.4 1.0 OE1 C:GLU60 5.0 66.2 1.0

Magnesium binding site 5 out of 6 in the Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:78.9 occ:1.00 O D:HOH412 1.7 56.6 1.0 OD1 D:ASP58 2.2 81.3 1.0 O D:HOH403 2.6 72.5 1.0 CG D:ASP58 3.3 81.8 1.0 OD2 C:ASP146 3.7 81.2 1.0 OD2 D:ASP58 3.8 85.3 1.0 OE1 C:GLU149 4.0 74.0 1.0 OE2 C:GLU149 4.4 74.8 1.0 CB D:ASP58 4.5 74.2 1.0 CD C:GLU149 4.6 72.4 1.0 CG C:ASP146 4.7 78.7 1.0 O C:GLU142 4.8 61.1 1.0 CB C:ASP146 4.9 66.6 1.0 OE1 D:GLU60 5.0 60.0 1.0

Magnesium binding site 6 out of 6 in the Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of the Cytosolic Domain of the Cora MG2+ Channel From Escherichia Coli in Complex with Magnesium and Cobalt Hexammine within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg301 b:55.9 occ:1.00 O E:HOH404 2.1 47.8 1.0 OD1 E:ASP58 2.1 78.2 1.0 O D:HOH402 2.9 67.6 1.0 CG E:ASP58 3.0 81.2 1.0 OE2 E:GLU60 3.4 82.0 1.0 OD2 E:ASP58 3.4 87.0 1.0 CG D:GLU142 4.1 83.6 1.0 O D:GLU142 4.2 73.4 1.0 CB E:ASP58 4.3 75.5 1.0 CD E:GLU60 4.5 77.9 1.0 OD2 D:ASP146 4.6 0.7 1.0 OE2 D:GLU142 4.6 88.4 1.0 OE2 D:GLU149 4.6 66.4 1.0 N6 D:NCO303 4.7 0.1 1.0 OE1 D:GLU149 4.8 67.9 1.0 CD D:GLU142 4.8 89.4 1.0 CA E:ASP58 5.0 72.7 1.0

M.Lerche, H.Sandhu, L.Flockner, M.Hogbom, M.Rapp. Structure and Cooperativity of the Cytosolic Domain of the Cora Mg(2+) Channel From Escherichia Coli. Structure V. 25 1175 2017.
ISSN: ISSN 1878-4186
PubMed: 28669631
DOI: 10.1016/J.STR.2017.05.024