Calcium in PDB 9bar: Crystal Structure of the Alpha Parvalbumin From Thornback Ray

The structure of Crystal Structure of the Alpha Parvalbumin From Thornback Ray, PDB code: 9bar was solved by A.O'malley, A.B.Kapingidza, T.Ruethers, A.L.Lopata, M.Chruszcz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.08 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.199, 37.725, 38.809, 90, 95.37, 90
R / Rfree (%)	18.2 / 22.3

The binding sites of Calcium atom in the Crystal Structure of the Alpha Parvalbumin From Thornback Ray (pdb code 9bar). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Alpha Parvalbumin From Thornback Ray, PDB code: 9bar:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Alpha Parvalbumin From Thornback Ray


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Alpha Parvalbumin From Thornback Ray within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:11.1 occ:1.00 OD1 A:ASP51 2.3 13.2 1.0 OE1 A:GLU59 2.3 16.2 1.0 OD1 A:ASP53 2.3 17.9 1.0 O A:TYR57 2.3 11.0 1.0 OE1 A:GLU62 2.4 13.9 1.0 OG A:SER55 2.4 13.4 1.0 OE2 A:GLU62 2.6 13.8 1.0 CD A:GLU62 2.8 13.6 1.0 CD A:GLU59 3.3 15.6 1.0 CG A:ASP53 3.4 18.9 1.0 CG A:ASP51 3.4 13.5 1.0 CB A:SER55 3.5 15.2 1.0 OE2 A:GLU59 3.5 16.5 1.0 C A:TYR57 3.5 12.0 1.0 OD2 A:ASP53 3.9 21.0 1.0 N A:SER55 4.0 15.7 1.0 CA A:ASP51 4.2 13.4 1.0 OD2 A:ASP51 4.2 14.2 1.0 O A:HOH373 4.2 23.4 1.0 CG A:GLU62 4.3 13.2 1.0 CB A:ASP51 4.3 13.5 1.0 CA A:SER55 4.3 15.5 1.0 N A:TYR57 4.4 13.4 1.0 N A:GLU59 4.4 11.9 1.0 CA A:ILE58 4.4 11.6 1.0 N A:ILE58 4.4 11.4 1.0 N A:ASP53 4.4 16.2 1.0 C A:ASP51 4.5 14.4 1.0 CA A:TYR57 4.5 12.9 1.0 CB A:ASP53 4.6 17.9 1.0 CG A:GLU59 4.6 15.5 1.0 N A:GLY52 4.6 14.4 1.0 N A:GLN54 4.7 17.1 1.0 O A:HOH345 4.7 42.4 1.0 O A:HOH304 4.8 17.1 1.0 CA A:ASP53 4.9 16.8 1.0 N A:GLY56 4.9 14.8 1.0 C A:ASP53 4.9 16.8 1.0 C A:ILE58 4.9 11.8 1.0 C A:SER55 5.0 15.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Alpha Parvalbumin From Thornback Ray


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Alpha Parvalbumin From Thornback Ray within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:17.9 occ:1.00 OD1 A:ASP94 2.2 23.6 1.0 OD1 A:ASP90 2.3 20.8 1.0 OD1 A:ASP92 2.3 27.4 1.0 O A:LYS96 2.4 14.5 1.0 OE1 A:GLU101 2.5 18.7 1.0 O A:HOH324 2.5 25.6 1.0 OE2 A:GLU101 2.6 18.7 1.0 CD A:GLU101 2.9 19.4 1.0 CG A:ASP92 3.2 29.9 1.0 CG A:ASP94 3.2 23.2 1.0 CG A:ASP90 3.5 22.3 1.0 OD2 A:ASP92 3.5 32.7 1.0 C A:LYS96 3.5 16.3 1.0 OD2 A:ASP94 3.7 23.9 1.0 N A:LYS96 4.2 17.2 1.0 N A:ASP94 4.2 22.4 1.0 CB A:ASP90 4.2 21.5 1.0 CA A:ASP90 4.2 22.8 1.0 N A:ASP92 4.3 26.8 1.0 OD2 A:ASP90 4.4 22.3 1.0 CG A:GLU101 4.4 18.8 1.0 CA A:ILE97 4.4 15.2 1.0 N A:ILE97 4.4 14.8 1.0 N A:GLY98 4.4 14.8 1.0 CB A:ASP94 4.4 23.3 1.0 CB A:ASP92 4.4 27.9 1.0 CA A:LYS96 4.5 17.1 1.0 N A:GLY93 4.5 26.7 1.0 CA A:ASP92 4.7 28.2 1.0 CA A:ASP94 4.7 22.2 1.0 C A:ASP90 4.7 24.5 1.0 N A:HIS95 4.7 20.1 1.0 C A:ASP92 4.8 27.9 1.0 N A:SER91 4.8 25.0 1.0 O A:HOH395 4.8 29.1 1.0 CG A:LYS96 4.8 21.3 1.0 C A:ILE97 4.8 14.9 1.0 C A:ASP94 4.9 20.9 1.0

A.O'malley, A.B.Kapingidza, T.Ruethers, A.L.Lopata, M.Chruszcz. Crystal Structure of the Alpha Parvalbumin From Thornback Ray Protein Sci. 2024.
ISSN: ESSN 1469-896X
DOI: 10.1002/PRO.522614