Magnesium in PDB 5n77: Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium

The structure of Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium, PDB code: 5n77 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)	29.84 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.313, 117.453, 91.114, 90.00, 103.27, 90.00
R / Rfree (%)	19.5 / 23.6

The binding sites of Magnesium atom in the Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium (pdb code 5n77). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium, PDB code: 5n77:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in the Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium


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 Magnesium Channel From Escherichia Coli in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:49.0 occ:1.00 O A:HOH401 1.7 38.0 1.0 OD1 A:ASP58 2.5 49.2 1.0 O A:HOH405 2.7 64.4 1.0 OD2 B:ASP146 3.5 53.1 1.0 OE2 B:GLU149 3.7 48.0 1.0 OE2 A:GLU60 3.7 68.4 1.0 CG A:ASP58 3.7 51.2 1.0 O B:GLU142 3.8 46.4 1.0 OE1 B:GLU149 3.9 48.9 1.0 CB B:ASP146 3.9 45.2 1.0 CD B:GLU149 4.2 45.7 1.0 CA B:ASP146 4.2 41.1 1.0 N B:ASP146 4.2 40.4 1.0 CG B:ASP146 4.2 51.9 1.0 O A:HOH402 4.4 43.5 1.0 OD2 A:ASP58 4.5 54.1 1.0 CB A:ASP58 4.7 48.8 1.0 CG B:GLU142 4.7 47.6 1.0 C B:ALA145 4.8 37.9 1.0 CD A:GLU60 4.8 55.6 1.0 C B:GLU142 4.9 44.2 1.0 CA A:ASP58 4.9 48.0 1.0 CB B:ALA145 5.0 39.0 1.0

Magnesium binding site 2 out of 7 in the Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium


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 Magnesium Channel From Escherichia Coli in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:48.3 occ:1.00 NE2 B:GLN242 4.2 52.1 1.0 NE2 E:GLN242 4.2 48.8 1.0 NE2 D:GLN242 4.3 54.4 1.0 NE2 A:GLN242 4.3 51.8 1.0 CD B:GLN242 4.4 54.4 1.0 CD D:GLN242 4.4 54.1 1.0 CD E:GLN242 4.4 56.1 1.0 NE2 C:GLN242 4.5 55.7 1.0 OE1 B:GLN242 4.6 55.8 1.0 OE1 E:GLN242 4.6 62.3 1.0 OE1 D:GLN242 4.6 60.9 1.0 CD C:GLN242 4.6 55.8 1.0 CD A:GLN242 4.7 50.7 1.0 OE1 C:GLN242 4.7 54.8 1.0 OE1 A:GLN242 4.8 60.3 1.0

Magnesium binding site 3 out of 7 in the Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium


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 Magnesium Channel From Escherichia Coli in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:47.1 occ:1.00 OE1 D:GLN252 2.9 66.1 1.0 OE1 E:GLN252 2.9 88.8 1.0 OE1 B:GLN252 3.0 86.0 1.0 OE1 C:GLN252 3.1 84.3 1.0 OE1 A:GLN252 3.1 80.2 1.0 CD E:GLN252 3.9 80.7 1.0 CD D:GLN252 4.0 63.6 1.0 CD B:GLN252 4.0 76.3 1.0 CD A:GLN252 4.1 72.4 1.0 CD C:GLN252 4.1 77.3 1.0 NE2 E:GLN252 4.2 80.5 1.0 NE2 B:GLN252 4.2 78.8 1.0 NE2 A:GLN252 4.3 74.6 1.0 NE2 D:GLN252 4.3 64.8 1.0 NE2 C:GLN252 4.4 81.2 1.0 ND2 B:ASN249 4.7 67.6 1.0 ND2 A:ASN249 4.8 60.5 1.0 ND2 C:ASN249 4.8 63.5 1.0 ND2 E:ASN249 4.8 59.5 1.0 ND2 D:ASN249 4.9 66.5 1.0

Magnesium binding site 4 out of 7 in the Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium


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 Magnesium Channel From Escherichia Coli in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:53.3 occ:1.00 O B:HOH406 1.7 41.4 1.0 O B:HOH404 2.3 57.0 1.0 OD1 B:ASP58 2.6 53.1 1.0 OE2 B:GLU60 3.4 54.4 1.0 CG B:ASP58 3.7 53.2 1.0 OD1 E:ASP146 4.2 68.2 1.0 O E:GLU142 4.2 50.0 1.0 OD2 B:ASP58 4.3 59.0 1.0 CG E:GLU142 4.5 49.2 1.0 OE2 E:GLU149 4.5 62.0 1.0 CD B:GLU60 4.6 51.3 1.0 CB E:ASP146 4.7 57.3 1.0 OE1 E:GLU149 4.7 60.0 1.0 CB B:ASP58 4.8 50.2 1.0 CG E:ASP146 4.9 64.8 1.0 OE2 E:GLU142 5.0 47.6 1.0

Magnesium binding site 5 out of 7 in the Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium


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 Magnesium Channel From Escherichia Coli in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:69.0 occ:1.00 O C:HOH401 1.5 41.6 1.0 O C:HOH403 1.6 53.0 1.0 OD1 C:ASP58 2.6 62.8 1.0 OE2 C:GLU60 3.3 56.0 1.0 O A:GLU142 3.5 56.5 1.0 CG C:ASP58 3.8 58.4 1.0 OD1 A:ASP146 3.9 71.4 1.0 OE2 A:GLU149 3.9 59.6 1.0 CB A:ASP146 4.1 52.6 1.0 N A:ASP146 4.2 43.4 1.0 OE1 A:GLU149 4.3 57.0 1.0 CA A:ASP146 4.3 48.8 1.0 CG A:GLU142 4.4 53.3 1.0 CD C:GLU60 4.4 53.0 1.0 CG A:ASP146 4.5 58.9 1.0 CD A:GLU149 4.5 51.6 1.0 OD2 C:ASP58 4.5 58.6 1.0 C A:GLU142 4.6 51.5 1.0 CB C:ASP58 4.7 54.7 1.0 CB A:ALA145 4.8 43.8 1.0 C A:ALA145 4.9 40.3 1.0

Magnesium binding site 6 out of 7 in the Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium


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 Magnesium Channel From Escherichia Coli in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:40.3 occ:1.00 O D:HOH405 1.6 54.6 1.0 OD1 D:ASP58 2.5 53.1 1.0 O D:HOH403 2.7 59.6 1.0 OE2 D:GLU60 2.8 55.9 1.0 CG D:ASP58 3.5 57.1 1.0 O C:GLU142 3.9 45.2 1.0 CD D:GLU60 4.0 51.5 1.0 OD2 D:ASP58 4.2 61.7 1.0 CG C:GLU142 4.2 49.2 1.0 OE2 C:GLU149 4.4 51.9 1.0 CB D:ASP58 4.5 54.6 1.0 OD1 C:ASP146 4.6 49.9 1.0 C C:GLU142 4.8 43.4 1.0 CG D:GLU60 4.8 47.4 1.0 OE1 C:GLU149 4.8 60.3 1.0 CB C:ASP146 4.9 44.4 1.0 OE1 D:GLU60 4.9 57.4 1.0 OE2 C:GLU142 4.9 53.4 1.0 N C:ASP146 5.0 39.1 1.0 CD C:GLU142 5.0 52.7 1.0 CA C:GLU142 5.0 44.2 1.0

Magnesium binding site 7 out of 7 in the Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of the Cytosolic Domain of the Cora Magnesium Channel From Escherichia Coli in Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg301 b:53.3 occ:1.00 O D:HOH407 1.8 47.8 1.0 OD1 E:ASP58 2.0 62.8 1.0 O E:HOH403 2.1 38.0 1.0 CG E:ASP58 3.0 58.0 1.0 O D:HOH402 3.1 64.6 1.0 OE2 E:GLU60 3.2 58.5 1.0 OD2 E:ASP58 3.4 58.5 1.0 CB E:ASP58 4.2 53.9 1.0 CG D:GLU142 4.4 66.9 1.0 O D:GLU142 4.4 57.1 1.0 CD E:GLU60 4.4 54.7 1.0 OE2 D:GLU149 4.7 58.3 1.0 OE2 D:GLU142 4.8 72.9 1.0 OD2 D:ASP146 4.8 65.5 1.0 CA E:ASP58 4.9 50.5 1.0 CD D:GLU142 5.0 71.6 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