Calcium in PDB 1pva: Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle)

The structure of Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle), PDB code: 1pva was solved by J.P.Declercq, B.Tinant, F.Roquet, J.Rambaud, J.Parello, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.65
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.700, 45.070, 81.810, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / n/a

The binding sites of Calcium atom in the Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle) (pdb code 1pva). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle), PDB code: 1pva:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca110 b:9.6 occ:1.00 OD1 A:ASP90 2.3 7.6 1.0 OD1 A:ASP94 2.4 13.3 1.0 OD1 A:ASP92 2.4 11.3 1.0 O A:LYS96 2.4 12.0 1.0 O A:HOH118 2.4 16.6 1.0 OE1 A:GLU101 2.5 8.5 1.0 OE2 A:GLU101 2.5 10.2 1.0 CD A:GLU101 2.8 9.5 1.0 CG A:ASP94 3.2 15.0 1.0 CG A:ASP92 3.3 13.2 1.0 CG A:ASP90 3.5 8.9 1.0 C A:LYS96 3.6 11.3 1.0 OD2 A:ASP92 3.6 15.0 1.0 OD2 A:ASP94 3.8 16.8 1.0 N A:ASP94 4.1 12.9 1.0 CA A:ASP90 4.2 7.2 1.0 OD2 A:ASP90 4.3 12.8 1.0 N A:ASP92 4.3 9.2 1.0 CB A:ASP94 4.3 14.1 1.0 CB A:ASP90 4.3 7.8 1.0 CG A:GLU101 4.3 5.3 1.0 N A:LYS96 4.3 11.1 1.0 O A:HOH195 4.4 37.2 1.0 CA A:ILE97 4.4 8.8 1.0 N A:ILE97 4.4 11.3 1.0 C A:ASP90 4.4 7.0 1.0 N A:GLY93 4.5 10.2 1.0 N A:LYS91 4.5 7.8 1.0 CB A:ASP92 4.5 10.0 1.0 N A:GLY98 4.5 8.7 1.0 CA A:LYS96 4.6 13.1 1.0 CA A:ASP94 4.6 13.8 1.0 CA A:ASP92 4.7 11.1 1.0 C A:ASP92 4.8 11.7 1.0 N A:GLY95 4.8 11.9 1.0 C A:ASP94 4.9 13.3 1.0 C A:ILE97 5.0 9.3 1.0 CG A:LYS96 5.0 17.8 1.0

Calcium binding site 2 out of 4 in the Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca111 b:10.4 occ:1.00 OE2 A:GLU59 2.3 14.2 1.0 OD1 A:ASP51 2.3 9.6 1.0 O A:PHE57 2.4 7.2 1.0 OD1 A:ASP53 2.4 10.2 1.0 OG A:SER55 2.5 8.6 1.0 OE1 A:GLU62 2.5 8.6 1.0 OE2 A:GLU62 2.6 10.1 1.0 CD A:GLU62 2.9 9.4 1.0 CD A:GLU59 3.3 14.7 1.0 CG A:ASP53 3.4 10.3 1.0 CG A:ASP51 3.4 9.8 1.0 CB A:SER55 3.6 7.2 1.0 C A:PHE57 3.6 7.4 1.0 OE1 A:GLU59 3.7 18.6 1.0 OD2 A:ASP53 3.9 10.5 1.0 N A:SER55 3.9 10.8 1.0 CA A:ASP51 4.2 11.0 1.0 OD2 A:ASP51 4.2 9.8 1.0 CB A:ASP51 4.3 10.4 1.0 CG A:GLU62 4.3 8.1 1.0 CA A:SER55 4.3 10.1 1.0 N A:ASP53 4.3 9.5 1.0 CA A:ILE58 4.3 9.0 1.0 N A:GLU59 4.3 8.2 1.0 N A:PHE57 4.4 8.7 1.0 C A:ASP51 4.4 9.6 1.0 N A:ILE58 4.4 7.3 1.0 N A:ALA54 4.6 9.8 1.0 N A:ALA52 4.6 10.4 1.0 CG A:GLU59 4.6 15.7 1.0 CA A:PHE57 4.6 8.0 1.0 CB A:ASP53 4.6 9.7 1.0 CA A:ASP53 4.8 9.6 1.0 N A:GLY56 4.8 11.8 1.0 C A:ASP53 4.8 8.8 1.0 O A:HOH143 4.8 32.4 1.0 C A:ILE58 4.8 9.4 1.0 O A:ASP51 4.9 9.9 1.0 C A:SER55 4.9 11.0 1.0 CB B:ALA72 4.9 12.2 1.0

Calcium binding site 3 out of 4 in the Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca110 b:17.1 occ:1.00 O B:LYS96 2.4 19.1 1.0 OD1 B:ASP90 2.4 16.2 1.0 OD1 B:ASP92 2.4 20.1 1.0 OD1 B:ASP94 2.4 19.4 1.0 OE1 B:GLU101 2.4 17.4 1.0 O B:HOH118 2.6 21.8 1.0 OE2 B:GLU101 2.7 18.9 1.0 CD B:GLU101 2.9 16.8 1.0 CG B:ASP94 3.2 23.1 1.0 CG B:ASP92 3.4 19.5 1.0 CG B:ASP90 3.5 14.6 1.0 C B:LYS96 3.5 20.1 1.0 OD2 B:ASP94 3.5 25.9 1.0 OD2 B:ASP92 3.8 23.1 1.0 CA B:ASP90 4.2 12.9 1.0 CA B:ILE97 4.3 15.6 1.0 N B:ASP94 4.3 24.5 1.0 N B:ILE97 4.3 17.2 1.0 CB B:ASP90 4.3 14.3 1.0 N B:LYS96 4.3 21.1 1.0 OD2 B:ASP90 4.3 18.1 1.0 CG B:GLU101 4.4 15.3 1.0 N B:ASP92 4.4 19.8 1.0 N B:GLY98 4.4 13.5 1.0 N B:GLY93 4.5 19.4 1.0 CB B:ASP94 4.5 21.1 1.0 CG B:LYS96 4.5 24.4 1.0 CA B:LYS96 4.5 19.3 1.0 N B:LYS91 4.7 15.6 1.0 CB B:ASP92 4.7 20.9 1.0 C B:ASP90 4.7 14.8 1.0 C B:ILE97 4.8 15.3 1.0 N B:GLY95 4.8 23.5 1.0 CA B:ASP94 4.8 24.1 1.0 CA B:ASP92 4.8 19.5 1.0 C B:ASP92 4.8 20.4 1.0

Calcium binding site 4 out of 4 in the Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca111 b:16.1 occ:1.00 OG B:SER55 2.3 21.8 1.0 OD1 B:ASP51 2.3 20.4 1.0 OE1 B:GLU59 2.4 21.0 1.0 OE1 B:GLU62 2.4 17.4 1.0 O B:PHE57 2.4 15.6 1.0 OD1 B:ASP53 2.4 20.9 1.0 OE2 B:GLU62 2.5 20.8 1.0 CD B:GLU62 2.8 21.9 1.0 CD B:GLU59 3.4 22.2 1.0 CG B:ASP53 3.4 24.4 1.0 CG B:ASP51 3.4 18.5 1.0 CB B:SER55 3.5 22.1 1.0 C B:PHE57 3.6 16.7 1.0 OE2 B:GLU59 3.7 25.2 1.0 OD2 B:ASP53 3.9 27.6 1.0 N B:SER55 4.0 22.8 1.0 CA B:ASP51 4.1 19.8 1.0 O B:HOH163 4.2 32.2 1.0 N B:GLU59 4.2 14.5 1.0 CG B:GLU62 4.3 20.7 1.0 C B:ASP51 4.3 20.4 1.0 CB B:ASP51 4.3 18.1 1.0 OD2 B:ASP51 4.3 19.2 1.0 N B:ASP53 4.3 21.4 1.0 CA B:SER55 4.3 21.8 1.0 CA B:ILE58 4.3 15.3 1.0 N B:ALA52 4.4 21.6 1.0 N B:PHE57 4.4 17.5 1.0 O B:HOH143 4.4 32.1 1.0 N B:ILE58 4.5 14.4 1.0 CA B:PHE57 4.6 16.6 1.0 CB B:ASP53 4.7 22.1 1.0 N B:ALA54 4.7 24.4 1.0 CG B:GLU59 4.7 19.6 1.0 C B:ILE58 4.8 14.5 1.0 CA B:ASP53 4.8 21.5 1.0 N B:GLY56 4.8 21.9 1.0 O B:ASP51 4.9 21.9 1.0 C B:ASP53 4.9 23.3 1.0 CB B:GLU59 4.9 15.0 1.0 O B:HOH128 4.9 41.5 1.0 C B:SER55 5.0 22.6 1.0

F.Roquet, J.Rambaud, J.P.Declercq, B.Tinant, C.Baldellon, A.Padilla, A.Cave, J.Parello. Comparison Between the Crystal and the Solution Structures of the Ef Hand Parvalbumin (Alpha Component From Pike Muscle) To Be Published.