Calcium in PDB 6hef: Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form

The structure of Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form, PDB code: 6hef was solved by S.Hjorth-Jensen, T.L.M.Sorensen, E.Oksanen, J.L.Andersen, C.Olesen, J.V.Moller, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.04 / 3.54
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	165.840, 77.770, 152.220, 90.00, 109.28, 90.00
R / Rfree (%)	22.3 / 25.7

The structure of Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Calcium atom in the Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form (pdb code 6hef). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form, PDB code: 6hef:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:58.9 occ:1.00 O2G A:ACP1001 2.3 73.8 1.0 O A:THR353 2.4 61.6 1.0 OD2 A:ASP351 2.4 66.8 1.0 OD1 A:ASP703 2.6 61.2 1.0 C A:THR353 3.5 63.6 1.0 CG A:ASP351 3.6 64.8 1.0 CG A:ASP703 3.6 62.4 1.0 PG A:ACP1001 3.8 74.3 1.0 OD2 A:ASP703 3.9 62.8 1.0 N A:GLY704 4.2 58.2 1.0 OD1 A:ASP351 4.2 68.3 1.0 CB A:THR353 4.2 64.4 1.0 C3B A:ACP1001 4.3 83.3 1.0 CA A:THR353 4.3 63.8 1.0 N A:THR353 4.5 64.3 1.0 N A:GLY354 4.5 66.9 1.0 O3G A:ACP1001 4.5 74.1 1.0 CB A:ASP351 4.6 59.4 1.0 CA A:GLY354 4.6 68.5 1.0 CA A:GLY704 4.7 57.6 1.0 N A:THR355 4.7 67.0 1.0 OG1 A:THR355 4.8 69.2 1.0 O1G A:ACP1001 4.8 77.5 1.0 N A:ASP703 4.8 64.2 1.0 CB A:ASP703 5.0 63.9 1.0 CG2 A:THR353 5.0 66.7 1.0

Calcium binding site 2 out of 3 in the Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:72.8 occ:1.00 OD2 A:ASP800 2.4 93.1 1.0 OD1 A:ASN796 2.4 84.7 1.0 O A:ALA305 2.5 98.7 1.0 OE1 A:GLU309 2.5 97.5 1.0 O A:ILE307 2.6 95.8 1.0 O A:VAL304 2.9 95.9 1.0 CG A:ASP800 3.1 91.6 1.0 CB A:ASP800 3.1 88.6 1.0 OE2 A:GLU309 3.2 97.5 1.0 CD A:GLU309 3.2 96.8 1.0 C A:ALA305 3.2 0.1 1.0 CG A:ASN796 3.4 85.4 1.0 CA A:ALA305 3.6 0.7 1.0 C A:ILE307 3.7 91.4 1.0 ND2 A:ASN796 3.8 86.0 1.0 C A:VAL304 3.9 98.0 1.0 OD1 A:ASP800 4.2 92.5 1.0 N A:ILE307 4.2 94.7 1.0 N A:ALA305 4.3 0.6 1.0 N A:ALA306 4.3 0.9 1.0 C A:ALA306 4.4 94.7 1.0 ND2 A:ASN768 4.5 87.2 1.0 N A:PRO308 4.5 86.2 1.0 CA A:ILE307 4.5 93.2 1.0 N A:GLU309 4.6 85.1 1.0 CA A:PRO308 4.6 83.5 1.0 CB A:ASN796 4.6 86.3 1.0 CA A:ASP800 4.7 87.4 1.0 CG A:GLU309 4.7 95.5 1.0 O A:ALA306 4.7 92.6 1.0 O A:ASN796 4.8 86.8 1.0 CA A:ALA306 4.8 98.0 1.0 CA A:ASN796 4.8 86.3 1.0 CB A:ALA305 4.9 0.6 1.0 OD1 A:ASN768 4.9 91.6 1.0

Calcium binding site 3 out of 3 in the Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Room Temperature Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1004 b:84.7 occ:1.00 OE2 A:GLU771 2.3 97.3 1.0 OD1 A:ASP800 2.3 92.5 1.0 OG1 A:THR799 2.4 88.7 1.0 OE1 A:GLU908 2.5 91.7 1.0 OD1 A:ASN768 2.9 91.6 1.0 CG A:ASP800 3.0 91.6 1.0 OD2 A:ASP800 3.2 93.1 1.0 CD A:GLU908 3.2 90.8 1.0 OE2 A:GLU908 3.3 91.9 1.0 CD A:GLU771 3.3 96.9 1.0 CB A:THR799 3.3 89.3 1.0 OE1 A:GLU771 3.7 95.2 1.0 N A:ASP800 4.0 87.8 1.0 C A:THR799 4.0 86.3 1.0 CG A:ASN768 4.1 89.4 1.0 O A:VAL795 4.1 89.0 1.0 CB A:ASP800 4.2 88.6 1.0 CA A:THR799 4.3 86.3 1.0 CG2 A:THR799 4.4 93.4 1.0 O A:THR799 4.4 86.1 1.0 CG A:GLU771 4.4 99.0 1.0 CG1 A:VAL795 4.5 91.8 1.0 CA A:ASP800 4.5 87.4 1.0 CB A:SER767 4.6 97.3 1.0 CG A:GLU908 4.6 91.5 1.0 ND2 A:ASN768 4.7 87.2 1.0 C A:VAL795 4.9 89.3 1.0 C A:SER767 5.0 99.3 1.0

T.L.M.Sorensen, S.J.Hjorth-Jensen, E.Oksanen, J.L.Andersen, C.Olesen, J.V.Moller, P.Nissen. Membrane-Protein Crystals For Neutron Diffraction. Acta Crystallogr D Struct V. 74 1208 2018BIOL.
ISSN: ISSN 2059-7983
PubMed: 30605135
DOI: 10.1107/S2059798318012561