Calcium in PDB 3n8g: Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form

All present enzymatic activity of Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form:
3.6.3.8;

The structure of Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form, PDB code: 3n8g was solved by M.Bublitz, C.Olesen, H.Poulsen, J.P.Morth, J.V.Moller, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.13 / 2.58
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.000, 76.000, 151.000, 90.00, 108.00, 90.00
R / Rfree (%)	20.2 / 24.5

The structure of 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 Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form (pdb code 3n8g). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form, PDB code: 3n8g:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the 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 Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:52.8 occ:1.00 O A:THR353 2.3 59.4 1.0 O3G A:ACP1001 2.4 52.8 1.0 O A:HOH1023 2.5 58.0 1.0 OD2 A:ASP703 2.6 57.8 1.0 OD2 A:ASP351 2.6 50.4 1.0 O A:HOH1025 2.7 60.5 1.0 O A:HOH995 3.1 52.8 1.0 CG A:ASP351 3.4 51.9 1.0 C A:THR353 3.5 57.8 1.0 OD1 A:ASP351 3.5 53.8 1.0 CG A:ASP703 3.6 60.8 1.0 PG A:ACP1001 3.7 48.6 1.0 OD1 A:ASP703 3.8 71.5 1.0 CB A:THR353 4.0 49.9 1.0 CA A:THR353 4.1 53.7 1.0 C3B A:ACP1001 4.2 41.2 1.0 N A:THR353 4.2 49.5 1.0 OD2 A:ASP707 4.4 66.4 1.0 OD1 A:ASN706 4.4 72.0 1.0 N A:GLY704 4.4 51.3 1.0 N A:GLY354 4.6 54.5 1.0 OG1 A:THR355 4.6 60.3 1.0 O1G A:ACP1001 4.6 58.4 1.0 CA A:GLY704 4.7 45.8 1.0 O2G A:ACP1001 4.7 35.1 1.0 CB A:ASP351 4.8 50.2 1.0 O A:HOH1072 4.8 55.3 1.0 CA A:GLY354 4.8 47.4 1.0 CB A:ASP703 4.9 58.6 1.0 CG2 A:THR353 4.9 41.1 1.0 OG1 A:THR353 5.0 46.5 1.0

Calcium binding site 2 out of 3 in the 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 Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:0.1 occ:1.00 O A:ILE307 2.5 0.9 1.0 OD1 A:ASN796 2.5 0.7 1.0 OE1 A:GLU309 2.6 0.3 1.0 O A:ALA305 2.6 0.3 1.0 O A:VAL304 2.7 0.3 1.0 OD2 A:ASP800 2.8 0.0 1.0 OE2 A:GLU309 2.9 0.9 1.0 CD A:GLU309 3.1 0.0 1.0 C A:ALA305 3.2 0.7 1.0 CG A:ASN796 3.5 0.1 1.0 C A:ILE307 3.6 0.3 1.0 CA A:ALA305 3.6 0.7 1.0 CG A:ASP800 3.7 98.7 1.0 C A:VAL304 3.7 0.6 1.0 CB A:ASP800 3.9 94.8 1.0 N A:ILE307 4.0 0.0 1.0 ND2 A:ASN796 4.0 0.4 1.0 ND2 A:ASN768 4.0 0.6 1.0 N A:ALA306 4.0 0.0 1.0 C A:ALA306 4.1 0.2 1.0 N A:ALA305 4.1 0.4 1.0 CA A:ILE307 4.3 0.6 1.0 O A:ALA306 4.4 0.1 1.0 N A:GLU309 4.5 0.7 1.0 N A:PRO308 4.5 0.3 1.0 CA A:ALA306 4.6 0.6 1.0 CG A:GLU309 4.6 0.3 1.0 CA A:PRO308 4.7 0.1 1.0 CB A:ILE307 4.8 1.0 1.0 CB A:ASN796 4.8 1.0 1.0 OD1 A:ASP800 4.9 0.7 1.0 CB A:ALA305 4.9 0.2 1.0

Calcium binding site 3 out of 3 in the 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 Structure of the (Sr)CA2+-Atpase CA2-E1-Caamppcp Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1004 b:0.5 occ:1.00 OD1 A:ASP800 2.5 0.7 1.0 OD1 A:ASN768 2.6 92.3 1.0 OG1 A:THR799 2.6 95.6 1.0 OE2 A:GLU771 2.7 0.8 1.0 CG A:ASP800 2.9 98.7 1.0 OD2 A:ASP800 3.0 0.0 1.0 OE2 A:GLU908 3.2 0.3 1.0 CD A:GLU771 3.4 0.8 1.0 OE1 A:GLU771 3.5 0.9 1.0 OE1 A:GLU908 3.5 0.6 1.0 CG A:ASN768 3.5 99.2 1.0 CD A:GLU908 3.7 0.3 1.0 CB A:THR799 3.9 98.2 1.0 ND2 A:ASN768 4.0 0.6 1.0 CB A:ASP800 4.0 94.8 1.0 O A:VAL795 4.1 0.3 1.0 O A:ALA305 4.1 0.3 1.0 C A:THR799 4.3 0.4 1.0 N A:ASP800 4.4 0.1 1.0 O A:THR799 4.5 0.7 1.0 CG A:GLU771 4.6 0.9 1.0 CA A:ASP800 4.7 97.5 1.0 CA A:THR799 4.7 99.8 1.0 CA A:ASN796 4.7 0.7 1.0 CB A:ASN768 4.8 99.8 1.0 C A:VAL795 4.8 0.8 1.0 OD1 A:ASN796 4.8 0.7 1.0 CA A:ASN768 4.9 0.4 1.0 CG2 A:THR799 4.9 97.0 1.0

M.Bublitz, M.Musgaard, H.Poulsen, L.Thogersen, C.Olesen, B.Schiott, J.P.Morth, J.V.Moller, P.Nissen. Ion Pathways in the Sarcoplasmic Reticulum CA2+-Atpase. J.Biol.Chem. V. 288 10759 2013.
ISSN: ISSN 0021-9258
PubMed: 23400778
DOI: 10.1074/JBC.R112.436550