Barium in PDB 2v02: Recombinant Vertebrate Calmodulin Complexed with Ba

The structure of Recombinant Vertebrate Calmodulin Complexed with Ba, PDB code: 2v02 was solved by P.Kursula, V.Majava, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	24.410, 29.320, 53.320, 89.84, 85.68, 82.80
R / Rfree (%)	24.3 / 29.4

The structure of Recombinant Vertebrate Calmodulin Complexed with Ba also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Barium atom in the Recombinant Vertebrate Calmodulin Complexed with Ba (pdb code 2v02). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Recombinant Vertebrate Calmodulin Complexed with Ba, PDB code: 2v02:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Recombinant Vertebrate Calmodulin Complexed with Ba


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Recombinant Vertebrate Calmodulin Complexed with Ba within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1147 b:49.0 occ:1.00 O A:THR62 2.5 49.6 1.0 OD1 A:ASN60 2.5 51.4 1.0 OD1 A:ASP56 2.7 53.0 1.0 OD1 A:ASP58 2.7 51.8 1.0 OE2 A:GLU67 2.7 44.8 1.0 OE1 A:GLU67 2.7 48.3 1.0 CD A:GLU67 3.1 47.8 1.0 CG A:ASN60 3.3 51.7 1.0 CG A:ASP58 3.4 52.6 1.0 OD2 A:ASP58 3.4 53.1 1.0 C A:THR62 3.7 50.4 1.0 ND2 A:ASN60 3.8 52.6 1.0 CG A:ASP56 3.8 51.8 1.0 OD2 A:ASP64 4.2 48.2 1.0 CA A:ILE63 4.3 50.8 1.0 CB A:ASN60 4.4 51.9 1.0 N A:ILE63 4.5 50.8 1.0 N A:THR62 4.5 50.4 1.0 N A:ASN60 4.5 51.7 1.0 CA A:ASP56 4.5 51.0 1.0 N A:ASP64 4.6 48.8 1.0 CB A:ASP56 4.6 50.9 1.0 CG A:GLU67 4.6 46.4 1.0 N A:ASP58 4.6 52.6 1.0 OG1 A:THR62 4.6 51.5 1.0 CG A:ASP64 4.6 47.4 1.0 CB A:ASP58 4.7 52.5 1.0 CA A:THR62 4.7 50.7 1.0 OD2 A:ASP56 4.7 50.7 1.0 O A:HOH2007 4.8 42.7 1.0 N A:ALA57 4.8 52.2 1.0 C A:ILE63 4.9 49.9 1.0 C A:ASP56 4.9 51.7 1.0 BA A:BA1150 4.9 51.0 1.0 CA A:ASN60 4.9 51.5 1.0 N A:GLY61 4.9 51.0 1.0 N A:GLY59 5.0 52.7 1.0

Barium binding site 2 out of 2 in the Recombinant Vertebrate Calmodulin Complexed with Ba


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Recombinant Vertebrate Calmodulin Complexed with Ba within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1150 b:51.0 occ:1.00 OD2 A:ASP58 2.8 53.1 1.0 OD2 A:ASP64 3.0 48.2 1.0 O A:HOH2007 3.3 42.7 1.0 CG A:ASP58 4.0 52.6 1.0 CG A:ASP64 4.2 47.4 1.0 CB A:ASP58 4.7 52.5 1.0 OE2 A:GLU67 4.8 44.8 1.0 BA A:BA1147 4.9 49.0 1.0 OD1 A:ASP64 4.9 46.3 1.0 OD1 A:ASP58 4.9 51.8 1.0

P.Kursula, V.Majava. A Structural Insight Into Lead Neurotoxicity and Calmodulin Activation By Heavy Metals. Acta Crystallogr.,Sect.F V. 63 653 2007.
ISSN: ESSN 1744-3091
PubMed: 17671360
DOI: 10.1107/S1744309107034525