Calcium in PDB 6jju: Structure of CA2+ Atpase

All present enzymatic activity of Structure of CA2+ Atpase:
7.2.2.10;

The structure of Structure of CA2+ Atpase, PDB code: 6jju was solved by M.Inoue, N.Sakuta, S.Watanabe, K.Inaba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.48 / 3.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	165.576, 84.358, 122.187, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.6

The structure of Structure of CA2+ Atpase also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Structure of CA2+ Atpase (pdb code 6jju). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of CA2+ Atpase, PDB code: 6jju:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of CA2+ Atpase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of CA2+ Atpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:82.3 occ:1.00 OE2 A:GLU309 2.2 85.8 1.0 O A:ILE307 2.4 88.2 1.0 OD1 A:ASN795 2.5 85.8 1.0 O A:ALA305 2.5 89.5 1.0 O A:VAL304 2.7 88.0 1.0 OD2 A:ASP799 2.8 83.2 1.0 OE1 A:GLU309 2.8 84.9 1.0 CD A:GLU309 2.8 85.2 1.0 C A:ALA305 3.2 87.3 1.0 C A:ILE307 3.5 89.5 1.0 CG A:ASP799 3.7 83.2 1.0 CA A:ALA305 3.7 89.0 1.0 CG A:ASN795 3.7 86.6 1.0 CB A:ASP799 3.8 77.6 1.0 N A:ILE307 3.8 87.2 1.0 C A:VAL304 3.8 88.9 1.0 C A:ALA306 4.1 84.8 1.0 N A:ALA306 4.1 86.3 1.0 ND2 A:ASN767 4.2 82.5 1.0 CA A:ILE307 4.2 86.4 1.0 N A:ALA305 4.3 89.3 1.0 CG A:GLU309 4.3 88.2 1.0 N A:GLU309 4.5 91.6 1.0 CA A:ALA306 4.6 85.8 1.0 O A:ALA306 4.6 83.0 1.0 N A:PRO308 4.6 92.3 1.0 CB A:ASN795 4.6 86.8 1.0 ND2 A:ASN795 4.6 88.5 1.0 CB A:ILE307 4.7 89.4 1.0 CA A:PRO308 4.8 88.8 1.0 OD1 A:ASP799 4.9 86.7 1.0 CB A:GLU309 4.9 89.9 1.0 CA A:ASN795 5.0 84.7 1.0

Calcium binding site 2 out of 2 in the Structure of CA2+ Atpase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of CA2+ Atpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1004 b:84.5 occ:1.00 OD1 A:ASP799 2.1 86.7 1.0 OD1 A:ASN767 2.4 84.7 1.0 OE2 A:GLU770 2.4 89.8 1.0 OG1 A:THR798 2.4 85.8 1.0 OE2 A:GLU907 2.6 87.9 1.0 CG A:ASP799 2.9 83.2 1.0 OE1 A:GLU907 3.0 93.9 1.0 CD A:GLU907 3.1 93.6 1.0 CD A:GLU770 3.2 87.5 1.0 OD2 A:ASP799 3.2 83.2 1.0 CG A:ASN767 3.4 83.5 1.0 CB A:THR798 3.5 82.7 1.0 OE1 A:GLU770 3.7 92.6 1.0 ND2 A:ASN767 3.8 82.5 1.0 N A:ASP799 4.1 82.3 1.0 CB A:ASP799 4.1 77.6 1.0 O A:VAL794 4.2 90.5 1.0 CG A:GLU770 4.3 84.0 1.0 C A:THR798 4.3 80.8 1.0 CB A:SER766 4.4 82.1 1.0 CG2 A:THR798 4.4 84.7 1.0 CA A:ASP799 4.5 77.7 1.0 CA A:THR798 4.5 80.0 1.0 CG A:GLU907 4.6 87.7 1.0 CB A:ASN767 4.7 78.7 1.0 O A:ALA305 4.7 89.5 1.0 CA A:ASN767 4.8 83.1 1.0 O A:THR798 4.8 86.4 1.0 N A:ASN767 4.9 80.8 1.0 C A:SER766 4.9 86.8 1.0

M.Inoue, N.Sakuta, S.Watanabe, Y.Zhang, K.Yoshikaie, Y.Tanaka, R.Ushioda, Y.Kato, J.Takagi, T.Tsukazaki, K.Nagata, K.Inaba. Structural Basis of Sarco/Endoplasmic Reticulum CA2+-Atpase 2B Regulation Via Transmembrane Helix Interplay. Cell Rep V. 27 1221 2019.
ISSN: ESSN 2211-1247
PubMed: 31018135
DOI: 10.1016/J.CELREP.2019.03.106