Calcium in PDB 3snz: Crystal Structure of A Mutant W39D of A Betagamma-Crystallin Domain From Clostridium Beijerinckii

The structure of Crystal Structure of A Mutant W39D of A Betagamma-Crystallin Domain From Clostridium Beijerinckii, PDB code: 3snz was solved by S.S.Srivastava, R.Sankaranarayanan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	110.071, 110.071, 110.071, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 24.6

The binding sites of Calcium atom in the Crystal Structure of A Mutant W39D of A Betagamma-Crystallin Domain From Clostridium Beijerinckii (pdb code 3snz). 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 A Mutant W39D of A Betagamma-Crystallin Domain From Clostridium Beijerinckii, PDB code: 3snz:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A Mutant W39D of A Betagamma-Crystallin Domain From Clostridium Beijerinckii


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 A Mutant W39D of A Betagamma-Crystallin Domain From Clostridium Beijerinckii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca97 b:57.1 occ:1.00 O A:GLU55 2.3 36.4 1.0 OG1 A:THR82 2.4 36.4 1.0 OD1 A:ASP38 2.4 41.9 1.0 O A:LYS80 2.6 39.4 1.0 O A:HOH110 2.9 62.2 1.0 CG A:ASP38 3.4 46.4 1.0 C A:LYS80 3.4 39.3 1.0 C A:GLU55 3.4 36.1 1.0 CB A:THR82 3.5 35.2 1.0 OD2 A:ASP38 3.8 48.2 1.0 CA A:LYS80 4.0 41.2 1.0 N A:THR82 4.0 34.9 1.0 CA A:GLU55 4.0 36.8 1.0 CG A:GLU55 4.1 42.5 1.0 OD1 A:ASN37 4.2 44.6 1.0 C A:MET81 4.2 36.0 1.0 CA A:THR82 4.3 34.4 1.0 N A:MET81 4.4 38.1 1.0 N A:ASN56 4.5 35.3 1.0 O A:MET81 4.6 36.1 1.0 CG2 A:THR82 4.6 33.9 1.0 CB A:LYS80 4.6 41.7 1.0 CB A:ASP38 4.7 46.5 1.0 CB A:GLU55 4.7 38.4 1.0 CA A:MET81 4.7 36.5 1.0 OD1 A:ASN56 4.8 42.9 1.0 CA A:ASN56 4.8 35.0 1.0 O A:TYR54 4.9 34.1 1.0 CD A:LYS80 5.0 48.3 1.0 CA A:ASP38 5.0 45.6 1.0 CG A:ASN37 5.0 46.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of A Mutant W39D of A Betagamma-Crystallin Domain From Clostridium Beijerinckii


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 A Mutant W39D of A Betagamma-Crystallin Domain From Clostridium Beijerinckii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca98 b:61.3 occ:1.00 O A:GLU9 2.3 54.1 1.0 OD1 A:ASP79 2.4 44.0 1.0 O A:ASP39 2.6 48.1 1.0 OG1 A:THR41 2.7 46.3 1.0 O A:HOH116 2.7 65.8 1.0 OD1 A:ASP39 3.2 57.0 1.0 C A:ASP39 3.3 47.1 1.0 CG A:ASP79 3.3 46.6 1.0 C A:GLU9 3.5 54.1 1.0 OD2 A:ASP79 3.6 50.6 1.0 CA A:ASP39 3.8 48.2 1.0 CB A:THR41 3.9 46.6 1.0 CA A:GLU9 4.1 52.9 1.0 CG A:ASP39 4.1 53.5 1.0 N A:MET40 4.2 45.3 1.0 N A:THR41 4.3 44.6 1.0 C A:MET40 4.4 44.4 1.0 CB A:GLU9 4.5 54.6 1.0 CB A:ASP39 4.5 49.3 1.0 O A:HOH119 4.6 79.0 1.0 N A:ASP10 4.6 55.1 1.0 OD1 A:ASN78 4.6 47.1 1.0 CA A:MET40 4.6 44.3 1.0 CA A:THR41 4.7 45.1 1.0 CB A:ASP79 4.7 45.5 1.0 CA A:ASP10 4.8 56.7 1.0 O A:MET40 4.8 44.5 1.0 OD2 A:ASP39 5.0 57.4 1.0 CG2 A:THR41 5.0 47.8 1.0

A.Mishra, S.K.Suman, S.S.Srivastava, R.Sankaranarayanan, Y.Sharma. Decoding the Molecular Design Principles Underlying Ca(2+) Binding to Beta Gamma-Crystallin Motifs J.Mol.Biol. V. 415 75 2012.
ISSN: ISSN 0022-2836
PubMed: 22099475
DOI: 10.1016/J.JMB.2011.10.037