Calcium in PDB 8h5e: Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution

The structure of Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution, PDB code: 8h5e was solved by X.Teng, D.Sheng, M.Hattori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.54 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.76, 70.28, 103.97, 90, 90, 90
R / Rfree (%)	23.3 / 26

The binding sites of Calcium atom in the Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution (pdb code 8h5e). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution, PDB code: 8h5e:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:65.8 occ:1.00 O A:HOH612 2.4 62.5 1.0 O B:HOH716 2.4 63.8 1.0 O A:HOH654 2.4 58.4 1.0 O B:HOH732 2.5 62.0 1.0 O A:HOH622 2.5 65.0 1.0 O B:HOH719 2.6 61.3 1.0 O A:HOH618 3.6 56.7 1.0 O B:HOH712 4.0 62.9 1.0 O A:HOH651 4.0 76.6 1.0 O A:HOH624 4.2 60.7 1.0 O A:HOH619 4.4 56.9 1.0 OD1 A:ASP432 4.5 70.0 1.0 OD2 B:ASP432 4.5 76.2 1.0 O B:HOH725 4.5 69.1 1.0 O B:HOH713 4.5 71.8 1.0 CB A:ALA428 4.6 64.4 1.0 OD2 A:ASP432 4.6 66.2 1.0 OD1 B:ASP432 4.6 69.9 1.0 CB B:ALA428 4.7 68.2 1.0 O A:HOH640 4.7 61.4 1.0 CA A:GLY325 4.9 51.2 1.0 CG A:ASP432 4.9 66.5 1.0 CG B:ASP432 5.0 70.5 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:75.2 occ:1.00 O B:GLU311 2.4 68.8 1.0 OE2 A:GLU311 2.7 81.6 1.0 O B:HOH708 2.7 64.7 1.0 O B:HOH726 2.8 73.4 1.0 OE1 A:GLU311 2.8 78.2 1.0 CD A:GLU311 3.1 73.4 1.0 C B:GLU311 3.4 67.7 1.0 OE2 B:GLU311 3.8 72.8 1.0 CA B:GLU311 3.8 67.8 1.0 CA A:CA504 3.9 78.9 1.0 OG1 B:THR314 4.0 76.2 1.0 CB B:GLU311 4.4 70.5 1.0 O A:HOH637 4.6 74.8 1.0 CG A:GLU311 4.6 75.7 1.0 N B:ALA312 4.7 63.4 1.0 O B:LEU310 4.8 71.4 1.0 CD B:GLU311 4.8 77.3 1.0 C B:ALA312 5.0 61.0 1.0 O B:ALA312 5.0 62.5 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:78.9 occ:1.00 OE1 A:GLU311 2.5 78.2 1.0 O A:GLU311 2.6 62.8 1.0 OG1 A:THR314 2.6 66.0 1.0 OE2 B:GLU311 2.9 72.8 1.0 O A:HOH637 3.1 74.8 1.0 CD A:GLU311 3.5 73.4 1.0 C A:GLU311 3.7 67.5 1.0 CD B:GLU311 3.7 77.3 1.0 CB A:THR314 3.9 61.5 1.0 CA A:CA503 3.9 75.2 1.0 CA A:GLU311 4.1 67.6 1.0 OE1 B:GLU311 4.1 83.3 1.0 OE2 A:GLU311 4.1 81.6 1.0 O B:HOH708 4.2 64.7 1.0 CG2 A:THR314 4.3 71.1 1.0 CG A:GLU311 4.4 75.7 1.0 N A:THR314 4.4 61.4 1.0 CA A:THR314 4.5 70.8 1.0 O A:LEU310 4.6 60.3 1.0 CG B:GLU311 4.7 76.1 1.0 CB A:GLU311 4.8 70.6 1.0 N A:ALA312 4.8 67.6 1.0 O A:ALA312 5.0 65.7 1.0 C A:ALA312 5.0 62.0 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the Mgte Tm Domain in Complex with CA2+ Ions at 2.5 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca603 b:100.4 occ:1.00 O B:HOH703 2.8 79.3 1.0 OE1 B:GLU311 3.8 83.3 1.0 CD B:GLU311 4.4 77.3 1.0 OE2 B:GLU311 4.9 72.8 1.0

X.Teng, D.Sheng, J.Wang, Y.Yu, M.Hattori. Ion Selectivity Mechanism of the Mgte Channel For Mg 2+ Over Ca 2 . Iscience V. 25 05565 2022.
ISSN: ESSN 2589-0042
PubMed: 36465111
DOI: 10.1016/J.ISCI.2022.105565