Calcium in PDB 1a75: Whiting Parvalbumin

The structure of Whiting Parvalbumin, PDB code: 1a75 was solved by J.P.Declercq, J.L.Baneres, J.Rambaud, J.Parello, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.730, 27.590, 98.510, 90.00, 91.49, 90.00
R / Rfree (%)	21.4 / n/a

The binding sites of Calcium atom in the Whiting Parvalbumin (pdb code 1a75). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Whiting Parvalbumin, PDB code: 1a75:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Whiting Parvalbumin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Whiting Parvalbumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca109 b:8.2 occ:1.00 O A:ALA96 2.2 9.4 1.0 O A:HOH111 2.3 4.0 1.0 OE1 A:GLU101 2.3 5.7 1.0 OD1 A:ASP94 2.3 6.5 1.0 OD1 A:ASP92 2.5 12.5 1.0 OD1 A:ASP90 2.5 6.0 1.0 OE2 A:GLU101 2.8 13.8 1.0 CD A:GLU101 2.9 12.0 1.0 CG A:ASP94 3.2 13.4 1.0 C A:ALA96 3.3 7.5 1.0 CG A:ASP92 3.3 7.0 1.0 CG A:ASP90 3.5 9.9 1.0 OD2 A:ASP94 3.6 21.5 1.0 OD2 A:ASP92 3.7 16.9 1.0 N A:ALA96 4.0 6.6 1.0 CA A:ALA96 4.1 4.0 1.0 CA A:ASP90 4.2 10.6 1.0 CB A:ASP90 4.2 10.0 1.0 N A:ILE97 4.2 5.8 1.0 N A:ASP94 4.2 15.0 1.0 OD2 A:ASP90 4.3 12.2 1.0 CA A:ILE97 4.4 4.0 1.0 CG A:GLU101 4.4 14.6 1.0 N A:GLY93 4.4 9.1 1.0 N A:ASP92 4.4 7.5 1.0 N A:GLY98 4.4 4.6 1.0 CB A:ASP94 4.5 12.8 1.0 CB A:ASP92 4.6 7.7 1.0 C A:ASP90 4.6 9.6 1.0 CB A:ALA96 4.7 10.6 1.0 N A:SER91 4.7 6.6 1.0 O A:HOH167 4.7 22.4 1.0 CA A:ASP94 4.8 15.4 1.0 N A:GLY95 4.8 13.9 1.0 CA A:ASP92 4.8 8.3 1.0 C A:ILE97 4.8 5.3 1.0 C A:ASP92 4.9 8.5 1.0 CD1 A:ILE97 4.9 23.6 1.0

Calcium binding site 2 out of 4 in the Whiting Parvalbumin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Whiting Parvalbumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca110 b:8.1 occ:1.00 OE1 A:GLU59 2.1 11.8 1.0 O A:PHE57 2.2 14.4 1.0 OD1 A:ASP53 2.2 22.9 1.0 OD1 A:ASP51 2.2 8.0 1.0 OG A:SER55 2.5 11.9 1.0 OE2 A:GLU62 2.5 6.2 1.0 OE1 A:GLU62 2.6 8.9 1.0 CD A:GLU62 2.9 5.2 1.0 CD A:GLU59 3.1 10.7 1.0 CG A:ASP53 3.2 26.2 1.0 OE2 A:GLU59 3.3 5.7 1.0 CG A:ASP51 3.4 6.0 1.0 C A:PHE57 3.4 4.0 1.0 CB A:SER55 3.6 5.5 1.0 OD2 A:ASP53 3.7 14.6 1.0 N A:SER55 3.7 12.6 1.0 CA A:ASP51 4.1 7.7 1.0 CA A:ILE58 4.1 4.0 1.0 N A:GLU59 4.1 9.5 1.0 CB A:ASP51 4.2 4.0 1.0 CA A:SER55 4.2 5.4 1.0 OD2 A:ASP51 4.2 10.7 1.0 N A:ILE58 4.2 4.0 1.0 N A:PHE57 4.3 10.2 1.0 C A:ASP51 4.3 9.9 1.0 N A:ASP53 4.3 13.6 1.0 CG A:GLU62 4.4 4.0 1.0 CA A:PHE57 4.4 7.8 1.0 CB A:ASP53 4.4 18.6 1.0 CG A:GLU59 4.5 11.3 1.0 N A:LYS54 4.5 17.5 1.0 O A:HOH154 4.5 11.3 1.0 C A:ILE58 4.6 4.5 1.0 O A:ASP51 4.6 8.3 1.0 CA A:ASP53 4.7 10.5 1.0 C A:ASP53 4.7 15.8 1.0 N A:GLN52 4.7 4.0 1.0 N A:GLY56 4.8 5.8 1.0 CB A:GLU59 4.8 14.7 1.0 C A:LYS54 4.9 11.4 1.0 C A:SER55 4.9 4.0 1.0 CB A:PHE57 4.9 4.2 1.0

Calcium binding site 3 out of 4 in the Whiting Parvalbumin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Whiting Parvalbumin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca109 b:9.2 occ:1.00 OD1 B:ASP94 2.1 4.0 1.0 O B:HOH111 2.1 15.5 1.0 OE1 B:GLU101 2.4 5.9 1.0 OD1 B:ASP92 2.5 11.0 1.0 O B:ALA96 2.5 8.3 1.0 OD1 B:ASP90 2.6 4.0 1.0 OE2 B:GLU101 2.8 11.8 1.0 CD B:GLU101 3.0 11.5 1.0 CG B:ASP94 3.0 9.6 1.0 CG B:ASP92 3.2 9.4 1.0 OD2 B:ASP92 3.4 17.4 1.0 OD2 B:ASP94 3.5 10.7 1.0 C B:ALA96 3.5 9.4 1.0 CG B:ASP90 3.5 7.3 1.0 N B:ASP94 4.1 13.5 1.0 N B:ALA96 4.1 5.2 1.0 CA B:ASP90 4.2 11.6 1.0 CB B:ASP94 4.2 17.2 1.0 CB B:ASP90 4.3 12.0 1.0 CA B:ALA96 4.3 6.8 1.0 O B:HOH188 4.3 21.0 1.0 N B:ILE97 4.4 7.1 1.0 OD2 B:ASP90 4.4 12.4 1.0 N B:GLY93 4.4 8.0 1.0 CA B:ILE97 4.4 4.0 1.0 O B:HOH190 4.4 24.7 1.0 N B:GLY98 4.4 7.2 1.0 N B:ASP92 4.5 6.5 1.0 CG B:GLU101 4.5 15.1 1.0 C B:ASP90 4.5 8.2 1.0 CB B:ASP92 4.5 7.9 1.0 CA B:ASP94 4.6 16.3 1.0 N B:GLY95 4.7 13.4 1.0 CB B:ALA96 4.8 8.2 1.0 C B:ASP92 4.8 10.1 1.0 N B:SER91 4.8 8.0 1.0 CA B:ASP92 4.8 9.6 1.0 CD1 B:ILE97 4.9 24.0 1.0 C B:ASP94 4.9 16.1 1.0 C B:ILE97 4.9 7.2 1.0

Calcium binding site 4 out of 4 in the Whiting Parvalbumin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Whiting Parvalbumin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca110 b:11.5 occ:1.00 OD1 B:ASP53 2.2 22.1 1.0 OD1 B:ASP51 2.3 9.1 1.0 O B:PHE57 2.4 13.7 1.0 OE2 B:GLU62 2.5 8.0 1.0 OG B:SER55 2.6 10.3 1.0 OE1 B:GLU59 2.6 10.4 1.0 OE1 B:GLU62 2.7 9.6 1.0 CD B:GLU62 2.9 5.2 1.0 CG B:ASP53 3.3 25.6 1.0 CG B:ASP51 3.3 7.8 1.0 CD B:GLU59 3.5 11.0 1.0 C B:PHE57 3.6 5.0 1.0 OE2 B:GLU59 3.6 4.0 1.0 CB B:SER55 3.7 7.2 1.0 CA B:ASP51 3.9 6.1 1.0 OD2 B:ASP53 3.9 13.4 1.0 N B:SER55 3.9 11.9 1.0 CB B:ASP51 4.0 4.5 1.0 N B:ASP53 4.1 15.4 1.0 C B:ASP51 4.1 7.6 1.0 OD2 B:ASP51 4.2 9.7 1.0 CA B:ILE58 4.3 4.0 1.0 CA B:SER55 4.4 6.8 1.0 CG B:GLU62 4.4 4.0 1.0 N B:GLU59 4.4 8.8 1.0 N B:ILE58 4.4 4.0 1.0 CB B:ASP53 4.4 18.2 1.0 N B:PHE57 4.4 11.3 1.0 N B:LYS54 4.5 17.9 1.0 N B:GLN52 4.5 9.1 1.0 O B:ASP51 4.5 5.3 1.0 CA B:ASP53 4.6 12.6 1.0 CA B:PHE57 4.6 5.7 1.0 C B:ASP53 4.7 15.1 1.0 N B:GLY56 4.8 7.0 1.0 CG B:GLU59 4.9 11.3 1.0 C B:ILE58 4.9 4.0 1.0 C B:SER55 4.9 4.7 1.0

J.P.Declercq, J.L.Baneres, J.Rambaud, J.Parello. Tertiary Structure of A Trp-Containing Parvalbumin From Whiting (Merlangius Merlangus). Description of the Hydrophobic Core To Be Published.