Calcium in PDB 1b9a: Parvalbumin (Mutation;D51A, F102W)

The structure of Parvalbumin (Mutation;D51A, F102W), PDB code: 1b9a was solved by M.S.Cates, M.B.Berry, E.L.Ho, Q.Li, J.D.Potter, G.N.Phillips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.00
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	33.424, 33.424, 298.186, 90.00, 90.00, 120.00
R / Rfree (%)	21 / 29

The binding sites of Calcium atom in the Parvalbumin (Mutation;D51A, F102W) (pdb code 1b9a). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Parvalbumin (Mutation;D51A, F102W), PDB code: 1b9a:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Parvalbumin (Mutation;D51A, F102W)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Parvalbumin (Mutation;D51A, F102W) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca109 b:16.6 occ:1.00 O A:HOH131 2.3 18.2 1.0 OD1 A:ASP90 2.3 12.3 1.0 OE2 A:GLU101 2.4 30.6 1.0 OD1 A:ASP92 2.4 15.2 1.0 O A:LYS96 2.4 17.6 1.0 OE1 A:GLU101 2.4 24.6 1.0 OD1 A:ASP94 2.4 21.1 1.0 CD A:GLU101 2.7 25.6 1.0 CG A:ASP92 3.1 17.6 1.0 OD2 A:ASP92 3.2 15.3 1.0 CG A:ASP94 3.3 20.4 1.0 CG A:ASP90 3.5 13.2 1.0 C A:LYS96 3.5 19.2 1.0 OD2 A:ASP94 3.7 21.2 1.0 CA A:ASP90 4.0 17.8 1.0 O A:HOH279 4.0 43.5 1.0 CB A:ASP90 4.1 14.7 1.0 N A:ASP94 4.2 21.2 1.0 CG A:GLU101 4.2 24.3 1.0 N A:ASP92 4.3 21.7 1.0 N A:LYS96 4.3 16.7 1.0 O A:HOH243 4.3 49.3 1.0 CA A:ILE97 4.3 17.6 1.0 C A:ASP90 4.3 19.7 1.0 N A:ILE97 4.4 18.7 1.0 CB A:ASP92 4.4 19.6 1.0 N A:GLY98 4.4 18.9 1.0 CB A:ASP94 4.4 20.8 1.0 OD2 A:ASP90 4.5 8.3 1.0 N A:GLY93 4.5 21.4 1.0 CA A:LYS96 4.5 18.3 1.0 N A:SER91 4.6 21.6 1.0 CA A:ASP92 4.6 19.9 1.0 C A:ASP92 4.7 22.8 1.0 CA A:ASP94 4.8 20.1 1.0 CG A:LYS96 4.8 23.8 1.0 O A:ASP90 4.9 21.3 1.0 C A:ILE97 4.9 19.4 1.0 N A:GLY95 5.0 18.9 1.0

Calcium binding site 2 out of 2 in the Parvalbumin (Mutation;D51A, F102W)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Parvalbumin (Mutation;D51A, F102W) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca110 b:19.0 occ:1.00 O A:PHE57 2.4 20.6 1.0 OE2 A:GLU62 2.4 13.1 1.0 OD1 A:ASP53 2.4 20.9 1.0 OE1 A:GLU59 2.5 18.2 1.0 OE1 A:GLU62 2.5 18.5 1.0 O A:ALA51 2.5 15.9 1.0 O A:HOH116 2.5 13.8 1.0 OG A:SER55 2.6 15.9 1.0 CD A:GLU62 2.8 17.0 1.0 CG A:ASP53 3.4 19.5 1.0 CD A:GLU59 3.5 19.4 1.0 C A:PHE57 3.6 20.6 1.0 C A:ALA51 3.6 19.6 1.0 CB A:SER55 3.8 15.6 1.0 O A:HOH151 3.8 18.7 1.0 OE2 A:GLU59 3.9 21.9 1.0 OD2 A:ASP53 3.9 22.3 1.0 N A:SER55 4.1 17.6 1.0 N A:ASP53 4.2 20.5 1.0 CA A:ALA51 4.2 17.3 1.0 CB A:ALA51 4.2 14.9 1.0 N A:PHE57 4.3 21.9 1.0 CG A:GLU62 4.3 15.1 1.0 O A:ASP53 4.3 17.9 1.0 N A:GLU59 4.4 16.3 1.0 C A:ASP53 4.5 18.6 1.0 CA A:SER55 4.5 18.2 1.0 CA A:ILE58 4.5 13.0 1.0 N A:ILE58 4.5 17.4 1.0 CA A:PHE57 4.5 21.6 1.0 CB A:ASP53 4.6 19.8 1.0 CA A:ASP53 4.6 18.5 1.0 N A:GLY56 4.7 21.3 1.0 N A:GLN52 4.8 19.6 1.0 CG A:GLU59 4.8 19.8 1.0 C A:SER55 4.9 20.3 1.0 O A:HOH238 4.9 27.4 1.0 C A:ILE58 5.0 13.6 1.0 C A:GLN52 5.0 19.7 1.0

M.S.Cates, M.B.Berry, E.L.Ho, Q.Li, J.D.Potter, G.N.Phillips Jr.. Metal-Ion Affinity and Specificity in Ef-Hand Proteins: Coordination Geometry and Domain Plasticity in Parvalbumin. Structure Fold.Des. V. 7 1269 1999.
ISSN: ISSN 0969-2126
PubMed: 10545326
DOI: 10.1016/S0969-2126(00)80060-X