Calcium in PDB 4nab: Structure of the (Sr)CA2+-Atpase Mutant E309Q in the CA2-E1-Mgamppcp Form

All present enzymatic activity of Structure of the (Sr)CA2+-Atpase Mutant E309Q in the CA2-E1-Mgamppcp Form:
3.6.3.8;

The structure of Structure of the (Sr)CA2+-Atpase Mutant E309Q in the CA2-E1-Mgamppcp Form, PDB code: 4nab was solved by M.Bublitz, J.D.Clausen, B.Arnou, C.Montigny, C.Jaxel, P.Nissen, J.V.Mueller, J.P.Andersen, M.Le Maire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.01 / 3.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	167.010, 55.790, 161.790, 90.00, 109.29, 90.00
R / Rfree (%)	21.6 / 26.6

The structure of Structure of the (Sr)CA2+-Atpase Mutant E309Q in the CA2-E1-Mgamppcp 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 Mutant E309Q in the CA2-E1-Mgamppcp Form (pdb code 4nab). 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 the (Sr)CA2+-Atpase Mutant E309Q in the CA2-E1-Mgamppcp Form, PDB code: 4nab:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the (Sr)CA2+-Atpase Mutant E309Q in the CA2-E1-Mgamppcp 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 Mutant E309Q in the CA2-E1-Mgamppcp Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1101 b:69.5 occ:1.00 O A:ILE307 2.2 66.5 1.0 OD2 A:ASP800 2.3 60.9 1.0 OD1 A:ASN796 2.4 72.8 1.0 OE1 A:GLN309 2.4 0.6 1.0 O A:VAL304 2.5 63.4 1.0 O A:ALA305 3.0 58.2 1.0 CG A:ASP800 3.3 64.3 1.0 C A:ILE307 3.3 66.7 1.0 CD A:GLN309 3.4 0.3 1.0 C A:ALA305 3.5 54.7 1.0 CG A:ASN796 3.5 70.4 1.0 C A:VAL304 3.6 57.9 1.0 CA A:ALA305 3.7 50.0 1.0 CB A:ASP800 3.9 63.0 1.0 N A:ILE307 3.9 66.8 1.0 CA A:ILE307 4.0 67.2 1.0 NE2 A:GLN309 4.1 0.7 1.0 N A:ALA305 4.1 49.7 1.0 CB A:ILE307 4.2 66.6 1.0 OD1 A:ASP800 4.3 67.0 1.0 ND2 A:ASN796 4.4 73.8 1.0 N A:GLN309 4.4 71.6 1.0 N A:ALA306 4.4 54.5 1.0 C A:ALA306 4.4 63.9 1.0 N A:PRO308 4.5 65.7 1.0 CB A:ASN796 4.5 65.0 1.0 ND2 A:ASN768 4.5 44.7 1.0 CG2 A:ILE307 4.5 69.0 1.0 CG A:GLN309 4.5 0.9 1.0 OE2 A:GLU58 4.7 0.6 1.0 CB A:GLN309 4.8 98.9 1.0 CA A:PRO308 4.8 67.3 1.0 CA A:VAL304 4.9 58.0 1.0 O A:ALA306 4.9 66.0 1.0 CA A:ALA306 5.0 56.2 1.0

Calcium binding site 2 out of 2 in the Structure of the (Sr)CA2+-Atpase Mutant E309Q in the CA2-E1-Mgamppcp 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 Mutant E309Q in the CA2-E1-Mgamppcp Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1102 b:50.2 occ:1.00 OD1 A:ASP800 2.3 67.0 1.0 OE1 A:GLU771 2.3 65.0 1.0 OG1 A:THR799 2.4 58.8 1.0 O A:HOH1201 2.4 57.8 1.0 OD1 A:ASN768 2.5 43.2 1.0 OE1 A:GLU908 2.5 62.5 1.0 CD A:GLU771 3.4 63.6 1.0 CB A:THR799 3.4 56.2 1.0 CG A:ASP800 3.5 64.3 1.0 CG A:ASN768 3.6 43.7 1.0 CD A:GLU908 3.6 57.3 1.0 OE2 A:GLU771 3.8 67.0 1.0 N A:ASP800 3.8 57.5 1.0 OE2 A:GLU908 4.0 58.4 1.0 C A:THR799 4.1 60.4 1.0 ND2 A:ASN768 4.2 44.7 1.0 OD2 A:ASP800 4.3 60.9 1.0 CA A:THR799 4.3 59.4 1.0 CA A:ASP800 4.4 59.5 1.0 CB A:ASP800 4.4 63.0 1.0 CB A:SER767 4.4 50.0 1.0 CG2 A:THR799 4.5 51.7 1.0 N A:ASN768 4.6 42.5 1.0 O A:THR799 4.6 66.0 1.0 CG A:GLU771 4.7 56.0 1.0 O A:VAL795 4.7 64.3 1.0 O A:ALA305 4.7 58.2 1.0 CA A:ASN768 4.7 52.5 1.0 CB A:ASN768 4.8 43.6 1.0 CG1 A:VAL795 4.8 71.3 1.0 CG A:GLU908 4.9 51.0 1.0 C A:SER767 5.0 61.0 1.0

J.D.Clausen, M.Bublitz, B.Arnou, C.Montigny, C.Jaxel, J.V.Mller, P.Nissen, J.P.Andersen, M.Le Maire. Serca Mutant E309Q Binds Two Ca(2+) Ions But Adopts A Catalytically Incompetent Conformation. Embo J. V. 32 3231 2013.
ISSN: ISSN 0261-4189
PubMed: 24270570
DOI: 10.1038/EMBOJ.2013.250