Calcium in PDB 3f45: Structure of the R75A Mutant of Rat Alpha-Parvalbumin

The structure of Structure of the R75A Mutant of Rat Alpha-Parvalbumin, PDB code: 3f45 was solved by F.Hoh, A.Padilla, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.71 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	27.315, 55.050, 28.768, 90.00, 105.56, 90.00
R / Rfree (%)	14.4 / 20.5

The binding sites of Calcium atom in the Structure of the R75A Mutant of Rat Alpha-Parvalbumin (pdb code 3f45). 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 R75A Mutant of Rat Alpha-Parvalbumin, PDB code: 3f45:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the R75A Mutant of Rat Alpha-Parvalbumin


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 R75A Mutant of Rat Alpha-Parvalbumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca110 b:6.1 occ:1.00 OD1 A:ASP53 2.3 7.6 1.0 OD1 A:ASP51 2.3 6.1 1.0 OE1 A:GLU59 2.3 6.0 1.0 O A:PHE57 2.3 4.7 1.0 OE1 A:GLU62 2.3 3.0 1.0 OE2 A:GLU62 2.5 6.5 1.0 OG A:SER55 2.6 5.3 1.0 CD A:GLU62 2.7 2.2 1.0 CD A:GLU59 3.3 7.1 1.0 CG A:ASP53 3.3 7.6 1.0 CG A:ASP51 3.4 6.5 1.0 OE2 A:GLU59 3.6 7.7 1.0 C A:PHE57 3.6 5.3 1.0 CB A:SER55 3.6 6.2 1.0 OD2 A:ASP53 3.7 5.8 1.0 N A:SER55 3.8 7.8 1.0 CA A:ASP51 4.1 6.3 1.0 CG A:GLU62 4.2 2.2 1.0 N A:ASP53 4.2 7.9 1.0 OD2 A:ASP51 4.2 9.0 1.0 CB A:ASP51 4.3 5.4 1.0 CA A:SER55 4.3 6.7 1.0 N A:GLU59 4.3 4.5 1.0 N A:PHE57 4.3 5.2 1.0 C A:ASP51 4.3 6.5 1.0 CA A:ILE58 4.4 4.0 1.0 N A:LYS54 4.4 7.2 1.0 N A:ILE58 4.4 4.7 1.0 N A:LYS52 4.5 8.0 1.0 CA A:PHE57 4.5 5.6 1.0 CB A:ASP53 4.5 7.7 1.0 CG A:GLU59 4.6 5.7 1.0 CA A:ASP53 4.7 8.0 1.0 C A:ASP53 4.7 8.2 1.0 N A:GLY56 4.8 6.1 1.0 C A:SER55 4.9 7.1 1.0 O A:ASP51 4.9 6.1 1.0 C A:ILE58 4.9 4.3 1.0 C A:LYS54 4.9 8.0 1.0 CB A:GLU59 4.9 5.0 1.0 CB A:GLU62 4.9 5.7 1.0 O A:HOH160 4.9 12.3 1.0

Calcium binding site 2 out of 2 in the Structure of the R75A Mutant of Rat Alpha-Parvalbumin


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 R75A Mutant of Rat Alpha-Parvalbumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca111 b:8.7 occ:1.00 OD1 A:ASP94 2.2 10.9 1.0 O A:HOH158 2.4 12.3 1.0 OD1 A:ASP92 2.4 8.7 1.0 OE1 A:GLU101 2.4 5.6 1.0 OD1 A:ASP90 2.4 6.7 1.0 O A:LYS96 2.4 5.8 1.0 OE2 A:GLU101 2.6 2.4 1.0 CD A:GLU101 2.8 4.7 1.0 CG A:ASP94 3.2 9.2 1.0 CG A:ASP92 3.2 9.0 1.0 CG A:ASP90 3.5 6.9 1.0 OD2 A:ASP92 3.5 13.2 1.0 C A:LYS96 3.6 5.3 1.0 OD2 A:ASP94 3.6 9.8 1.0 CA A:ASP90 4.2 7.2 1.0 N A:ASP94 4.2 9.2 1.0 N A:ASP92 4.2 6.5 1.0 CB A:ASP90 4.2 7.5 1.0 N A:LYS96 4.3 5.9 1.0 OD2 A:ASP90 4.3 8.7 1.0 CB A:ASP94 4.3 9.7 1.0 CG A:GLU101 4.4 4.3 1.0 CA A:ILE97 4.4 4.4 1.0 N A:ILE97 4.4 4.2 1.0 C A:ASP90 4.4 7.4 1.0 O A:HOH167 4.5 23.1 1.0 CB A:ASP92 4.5 7.5 1.0 N A:GLY98 4.5 4.5 1.0 N A:GLY93 4.5 7.6 1.0 CA A:LYS96 4.6 4.9 1.0 N A:LYS91 4.6 6.7 1.0 CA A:ASP94 4.7 9.2 1.0 CA A:ASP92 4.7 7.2 1.0 N A:GLY95 4.7 7.6 1.0 C A:ASP92 4.8 7.8 1.0 CG A:LYS96 4.9 4.4 1.0 C A:ASP94 4.9 8.5 1.0 C A:ILE97 4.9 4.5 1.0 O A:HOH141 4.9 11.0 1.0

F.Hoh, A.Cave, M.P.Strub, J.L.Baneres, A.Padilla. Removing the Invariant Salt Bridge of Parvalbumin Increases Flexibility in the Ab-Loop Structure Acta Crystallogr.,Sect.D V. 65 733 2009.
ISSN: ISSN 0907-4449
PubMed: 19622856
DOI: 10.1107/S0907444909011482