Calcium in PDB 3ba6: Structure of the CA2E1P Phosphoenzyme Intermediate of the Serca CA2+- Atpase

All present enzymatic activity of Structure of the CA2E1P Phosphoenzyme Intermediate of the Serca CA2+- Atpase:
3.6.3.8;

The structure of Structure of the CA2E1P Phosphoenzyme Intermediate of the Serca CA2+- Atpase, PDB code: 3ba6 was solved by M.Picard, A.M.L.Winther, C.Olesen, C.Gyrup, J.P.Morth, C.Oxvig, J.V.Moller, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.510, 75.967, 152.407, 90.00, 109.01, 90.00
R / Rfree (%)	21 / 28.8

The structure of Structure of the CA2E1P Phosphoenzyme Intermediate of the Serca CA2+- Atpase also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Calcium atom in the Structure of the CA2E1P Phosphoenzyme Intermediate of the Serca CA2+- Atpase (pdb code 3ba6). 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 CA2E1P Phosphoenzyme Intermediate of the Serca CA2+- Atpase, PDB code: 3ba6:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of the CA2E1P Phosphoenzyme Intermediate of the Serca 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 the CA2E1P Phosphoenzyme Intermediate of the Serca CA2+- Atpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:95.2 occ:1.00 O A:ILE307 2.7 0.8 1.0 O A:ALA305 2.7 0.4 1.0 OE2 A:GLU309 2.7 0.2 1.0 OD1 A:ASN796 2.8 0.5 1.0 O A:VAL304 2.8 0.2 1.0 OD2 A:ASP800 2.9 0.4 1.0 OE1 A:GLU309 3.1 0.3 1.0 CG A:ASP800 3.2 0.5 1.0 CD A:GLU309 3.3 0.0 1.0 C A:ALA305 3.3 0.5 1.0 CB A:ASP800 3.5 0.8 1.0 C A:ILE307 3.6 0.1 1.0 CG A:ASN796 3.6 1.0 1.0 ND2 A:ASN768 3.8 0.9 1.0 ND2 A:ASN796 3.8 0.9 1.0 N A:ILE307 3.8 0.6 1.0 C A:VAL304 3.9 0.2 1.0 CA A:ALA305 4.0 0.4 1.0 OD1 A:ASP800 4.0 78.7 1.0 C A:ALA306 4.0 0.9 1.0 N A:ALA306 4.1 0.1 1.0 CA A:ILE307 4.3 0.0 1.0 O A:ALA306 4.4 0.7 1.0 N A:ALA305 4.4 0.1 1.0 N A:PRO308 4.5 0.5 1.0 N A:GLU309 4.5 0.1 1.0 CA A:ALA306 4.5 0.4 1.0 CA A:PRO308 4.6 0.3 1.0 CG A:GLU309 4.7 0.6 1.0 CG A:ASN768 4.9 0.5 1.0 CB A:ILE307 4.9 0.0 1.0 CD1 A:LEU764 5.0 1.0 1.0 CA A:ASP800 5.0 0.9 1.0 CD2 A:LEU65 5.0 0.0 1.0

Calcium binding site 2 out of 3 in the Structure of the CA2E1P Phosphoenzyme Intermediate of the Serca 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 the CA2E1P Phosphoenzyme Intermediate of the Serca CA2+- Atpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1004 b:92.6 occ:1.00 OD1 A:ASN768 2.5 0.5 1.0 OE2 A:GLU771 2.7 0.5 1.0 OG1 A:THR799 2.7 82.6 1.0 OD2 A:ASP800 2.8 0.4 1.0 OE2 A:GLU908 2.9 1.0 1.0 OD1 A:ASP800 3.0 78.7 1.0 CG A:ASP800 3.1 0.5 1.0 CD A:GLU771 3.1 0.6 1.0 OE1 A:GLU771 3.3 0.7 1.0 OE1 A:GLU908 3.3 0.1 1.0 CD A:GLU908 3.5 0.5 1.0 CG A:ASN768 3.5 0.5 1.0 CB A:THR799 4.0 89.8 1.0 O A:THR799 4.0 0.5 1.0 ND2 A:ASN768 4.1 0.9 1.0 O A:VAL795 4.1 0.7 1.0 C A:THR799 4.2 1.0 1.0 CG A:GLU771 4.3 0.6 1.0 CB A:ASP800 4.3 0.8 1.0 N A:ASP800 4.4 0.8 1.0 CB A:SER767 4.5 0.0 1.0 O A:ALA305 4.5 0.4 1.0 N A:ASN768 4.5 0.3 1.0 CA A:ASN768 4.6 0.3 1.0 CA A:ASP800 4.6 0.9 1.0 CB A:ASN768 4.7 0.2 1.0 CA A:THR799 4.7 99.8 1.0 C A:VAL795 4.9 0.9 1.0 CG A:GLU908 4.9 0.7 1.0 CA A:ASN796 5.0 0.1 1.0

Calcium binding site 3 out of 3 in the Structure of the CA2E1P Phosphoenzyme Intermediate of the Serca CA2+- Atpase


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 CA2E1P Phosphoenzyme Intermediate of the Serca CA2+- Atpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1005 b:71.2 occ:1.00 O A:THR353 2.3 59.0 1.0 OD2 A:ASP703 2.5 82.4 1.0 OD2 A:PHD351 2.5 80.3 1.0 O A:HOH1042 2.5 58.7 1.0 OP1 A:PHD351 2.7 73.5 1.0 O A:HOH1008 2.8 60.2 1.0 O A:HOH1044 3.0 98.1 1.0 OD1 A:ASP703 3.1 88.8 1.0 CG A:ASP703 3.2 89.0 1.0 C A:THR353 3.5 66.4 1.0 O A:HOH1048 3.6 71.4 1.0 CG A:PHD351 3.6 82.6 1.0 P A:PHD351 3.6 95.8 1.0 OP2 A:PHD351 3.6 93.7 1.0 CB A:THR353 4.0 75.5 1.0 OD1 A:PHD351 4.1 98.7 1.0 CA A:THR353 4.2 73.3 1.0 N A:THR353 4.5 71.3 1.0 CG2 A:THR353 4.5 71.7 1.0 N A:GLY704 4.5 63.2 1.0 N A:GLY354 4.6 67.7 1.0 OD1 A:ASN706 4.6 58.8 1.0 CB A:ASP703 4.7 57.2 1.0 CA A:GLY354 4.7 76.3 1.0 OD2 A:ASP707 4.7 58.2 1.0 CA A:GLY704 4.8 62.6 1.0 CB A:PHD351 4.8 59.8 1.0 OG1 A:THR355 4.9 69.8 1.0 OP3 A:PHD351 4.9 46.8 1.0

C.Olesen, M.Picard, A.M.Winther, C.Gyrup, J.P.Morth, C.Oxvig, J.V.Moller, P.Nissen. The Structural Basis of Calcium Transport By the Calcium Pump. Nature V. 450 1036 2007.
ISSN: ISSN 0028-0836
PubMed: 18075584
DOI: 10.1038/NATURE06418