Calcium in PDB 3iaj: Crystal Structure of A Betagamma-Crystallin Domain From Clostridium Beijerinckii-in Alternate Space Group I422

The structure of Crystal Structure of A Betagamma-Crystallin Domain From Clostridium Beijerinckii-in Alternate Space Group I422, PDB code: 3iaj was solved by P.Aravind, R.Sankaranarayanan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.10
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.731, 77.731, 76.208, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 25.9

The binding sites of Calcium atom in the Crystal Structure of A Betagamma-Crystallin Domain From Clostridium Beijerinckii-in Alternate Space Group I422 (pdb code 3iaj). 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 Betagamma-Crystallin Domain From Clostridium Beijerinckii-in Alternate Space Group I422, PDB code: 3iaj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A Betagamma-Crystallin Domain From Clostridium Beijerinckii-in Alternate Space Group I422


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 Betagamma-Crystallin Domain From Clostridium Beijerinckii-in Alternate Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:38.6 occ:1.00 OD1 A:ASP77 2.5 28.1 1.0 O A:GLU7 2.5 30.9 1.0 OG1 A:THR39 2.7 32.0 1.0 O A:TRP37 2.7 34.2 1.0 O A:HOH95 2.7 49.0 1.0 O A:HOH96 2.7 45.6 1.0 O A:HOH106 2.8 39.2 1.0 CG A:ASP77 3.4 30.1 1.0 OD2 A:ASP77 3.6 31.3 1.0 C A:TRP37 3.6 34.2 1.0 C A:GLU7 3.7 32.5 1.0 CB A:THR39 3.8 32.1 1.0 CA A:TRP37 4.2 35.4 1.0 N A:THR39 4.4 32.4 1.0 O A:HOH179 4.5 46.6 1.0 CG A:GLU7 4.5 35.6 1.0 CA A:GLU7 4.5 32.5 1.0 OD1 A:ASP8 4.5 34.5 1.0 C A:MET38 4.6 30.8 1.0 CA A:THR39 4.6 31.9 1.0 OD1 A:ASN76 4.7 30.2 1.0 N A:MET38 4.7 32.9 1.0 N A:ASP8 4.7 34.1 1.0 O A:HOH173 4.7 42.7 1.0 CA A:ASP8 4.8 33.9 1.0 CB A:ASP77 4.8 31.7 1.0 CG2 A:THR39 4.9 34.1 1.0 O A:HOH163 4.9 50.5 1.0 O A:MET38 5.0 30.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of A Betagamma-Crystallin Domain From Clostridium Beijerinckii-in Alternate Space Group I422


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 Betagamma-Crystallin Domain From Clostridium Beijerinckii-in Alternate Space Group I422 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:56.6 occ:1.00 O A:GLU53 2.7 23.5 1.0 OD1 A:ASP36 2.8 47.5 1.0 OG1 A:THR80 2.8 28.0 1.0 O A:LYS78 2.8 30.0 1.0 O A:HOH98 2.9 67.3 1.0 O A:HOH180 2.9 44.9 1.0 O A:HOH160 3.0 51.6 1.0 C A:LYS78 3.7 29.2 1.0 C A:GLU53 3.8 25.4 1.0 CG A:ASP36 3.9 48.4 1.0 CA A:LYS78 3.9 31.6 1.0 CB A:THR80 4.1 27.6 1.0 CB A:LYS78 4.2 33.5 1.0 OD2 A:ASP36 4.2 51.2 1.0 CA A:GLU53 4.4 26.9 1.0 OD1 A:ASN35 4.4 48.8 1.0 CG A:LYS78 4.7 37.6 1.0 CG A:GLU53 4.7 33.7 1.0 N A:THR80 4.8 27.9 1.0 ND2 A:ASN35 4.8 49.9 1.0 CB A:GLU53 4.9 26.6 1.0 N A:ASN54 4.9 24.9 1.0 N A:MET79 4.9 26.3 1.0 C A:MET79 5.0 28.4 1.0

P.Aravind, A.Mishra, S.K.Suman, M.K.Jobby, R.Sankaranarayanan, Y.Sharma. Betagamma-Crystallin Superfamily Contains A Universal Motif For Binding Calcium. Biochemistry 2009.
ISSN: ISSN 0006-2960
PubMed: 19921810
DOI: 10.1021/BI9017076