Calcium in PDB 6hxb: SERCA2A From Pig Heart

All present enzymatic activity of SERCA2A From Pig Heart:
3.6.3.8;

The structure of SERCA2A From Pig Heart, PDB code: 6hxb was solved by A.Sitsel, J.L.Andersen, P.Nissen, C.Olesen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.72 / 4.00
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.995, 51.776, 125.604, 90.00, 106.13, 90.00
R / Rfree (%)	31 / 35.4

The structure of SERCA2A From Pig Heart also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Calcium atom in the SERCA2A From Pig Heart (pdb code 6hxb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the SERCA2A From Pig Heart, PDB code: 6hxb:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the SERCA2A From Pig Heart


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of SERCA2A From Pig Heart within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:0.1 occ:1.00 OD1 A:ASP799 2.4 0.9 1.0 OD2 A:ASP799 2.4 0.4 1.0 OE2 A:GLU770 2.4 0.9 1.0 OD1 A:ASN767 2.5 1.0 1.0 OG1 A:THR798 2.5 0.7 1.0 CG A:ASP799 2.6 0.6 1.0 CD A:GLU770 3.5 0.5 1.0 CG A:ASN767 3.6 0.5 1.0 OE1 A:GLU907 3.7 0.6 1.0 CB A:THR798 3.7 0.7 1.0 CB A:ASP799 3.9 0.3 1.0 OE1 A:GLU770 3.9 0.1 1.0 O A:ALA305 4.0 0.9 1.0 N A:ASP799 4.1 0.7 1.0 ND2 A:ASN767 4.2 0.4 1.0 O A:VAL794 4.4 0.2 1.0 CD A:GLU907 4.5 0.9 1.0 C A:THR798 4.5 0.7 1.0 CA A:ASP799 4.5 0.9 1.0 OE2 A:GLU907 4.5 0.6 1.0 CG A:GLU770 4.7 0.0 1.0 CA A:THR798 4.7 0.8 1.0 CG2 A:THR798 4.7 0.3 1.0 CA A:ASN795 4.7 0.2 1.0 CA A:CA1002 4.8 0.0 1.0 C A:VAL794 4.9 0.3 1.0 CB A:ASN767 4.9 0.6 1.0 C A:ALA305 5.0 0.7 1.0

Calcium binding site 2 out of 3 in the SERCA2A From Pig Heart


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of SERCA2A From Pig Heart within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:0.0 occ:1.00 OE2 A:GLU309 2.3 0.4 1.0 O A:ALA305 2.4 0.9 1.0 OE1 A:GLU309 2.4 0.7 1.0 OD1 A:ASN795 2.4 0.1 1.0 OD2 A:ASP799 2.4 0.4 1.0 CD A:GLU309 2.7 0.6 1.0 O A:ILE307 2.8 0.7 1.0 CG A:ASN795 3.0 0.6 1.0 O A:VAL304 3.0 0.5 1.0 C A:ALA305 3.1 0.7 1.0 CG A:ASP799 3.2 0.6 1.0 CB A:ASP799 3.2 0.3 1.0 ND2 A:ASN795 3.2 0.4 1.0 CA A:ALA305 3.6 0.5 1.0 C A:ILE307 3.9 0.7 1.0 N A:ALA306 4.0 0.8 1.0 C A:VAL304 4.0 0.1 1.0 N A:ILE307 4.1 0.6 1.0 CB A:ASN795 4.2 0.9 1.0 C A:ALA306 4.2 0.1 1.0 CG A:GLU309 4.2 0.2 1.0 N A:ALA305 4.3 0.3 1.0 OD1 A:ASP799 4.3 0.9 1.0 CA A:ALA306 4.5 0.6 1.0 ND2 A:ASN767 4.5 0.4 1.0 O A:ALA306 4.6 0.3 1.0 CA A:ILE307 4.6 0.5 1.0 CA A:ASN795 4.7 0.2 1.0 CA A:ASP799 4.7 0.9 1.0 N A:PRO308 4.8 0.5 1.0 N A:GLU309 4.8 0.9 1.0 CA A:CA1001 4.8 0.1 1.0 CB A:ALA305 4.8 0.8 1.0 OD1 A:ASN767 4.9 1.0 1.0 CA A:PRO308 4.9 0.3 1.0

Calcium binding site 3 out of 3 in the SERCA2A From Pig Heart


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of SERCA2A From Pig Heart within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:0.3 occ:1.00 O2G A:ACP1004 2.1 0.7 1.0 OD1 A:ASP702 2.2 0.1 1.0 OD2 A:ASP351 2.4 0.7 1.0 O A:THR353 2.4 0.9 1.0 O A:HOH1101 2.4 0.5 1.0 OD2 A:ASP702 2.4 0.0 1.0 O3G A:ACP1004 2.4 0.9 1.0 CG A:ASP702 2.6 0.1 1.0 PG A:ACP1004 2.7 1.0 1.0 CG A:ASP351 3.4 0.3 1.0 O1G A:ACP1004 3.4 0.4 1.0 C A:THR353 3.5 0.1 1.0 CB A:ASP702 4.0 0.9 1.0 OD1 A:ASP351 4.1 0.3 1.0 CB A:THR353 4.2 1.0 1.0 CA A:THR353 4.2 0.0 1.0 N A:THR353 4.3 0.9 1.0 CB A:ASP351 4.3 0.1 1.0 C3B A:ACP1004 4.3 0.2 1.0 N A:GLY354 4.5 1.0 1.0 N A:ASP702 4.5 0.5 1.0 OG1 A:THR355 4.7 0.1 1.0 ND2 A:ASN705 4.7 0.9 1.0 CG2 A:THR353 4.7 0.0 1.0 CA A:GLY354 4.8 0.3 1.0 CA A:ASP702 4.8 0.1 1.0 OD2 A:ASP706 4.8 0.1 1.0 N A:GLY703 4.9 0.3 1.0 N A:THR355 4.9 0.2 1.0

A.Sitsel, J.De Raeymaecker, N.D.Drachmann, R.Derua, S.Smaardijk, J.L.Andersen, I.Vandecaetsbeek, J.Chen, M.De Maeyer, E.Waelkens, C.Olesen, P.Vangheluwe, P.Nissen. Structures of the Heart Specific SERCA2A CA2+-Atpase. Embo J. V. 38 2019.
ISSN: ESSN 1460-2075
PubMed: 30777856
DOI: 10.15252/EMBJ.2018100020