Calcium in PDB 4jdu: The Crystal Structure of An Aerotolerance-Related Membrane Protein From Bacteroides Fragilis Nctc 9343 with Multiple Mutations to Serines.

The structure of The Crystal Structure of An Aerotolerance-Related Membrane Protein From Bacteroides Fragilis Nctc 9343 with Multiple Mutations to Serines., PDB code: 4jdu was solved by Y.Fan, K.Tan, L.Bigelow, J.Bearden, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.69 / 1.47
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.277, 49.871, 85.451, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 19.8

The binding sites of Calcium atom in the The Crystal Structure of An Aerotolerance-Related Membrane Protein From Bacteroides Fragilis Nctc 9343 with Multiple Mutations to Serines. (pdb code 4jdu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of An Aerotolerance-Related Membrane Protein From Bacteroides Fragilis Nctc 9343 with Multiple Mutations to Serines., PDB code: 4jdu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of An Aerotolerance-Related Membrane Protein From Bacteroides Fragilis Nctc 9343 with Multiple Mutations to Serines.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of An Aerotolerance-Related Membrane Protein From Bacteroides Fragilis Nctc 9343 with Multiple Mutations to Serines. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:16.1 occ:0.54 CA A:CA302 0.0 16.1 0.5 CA A:CA302 2.0 21.4 0.5 OG A:SER99 2.3 19.4 1.0 OG A:SER101 2.4 16.5 1.0 OG1 A:THR170 2.4 31.7 1.0 O A:HOH488 2.5 52.5 1.0 O A:HOH533 2.6 30.7 1.0 CB A:SER99 3.3 20.5 1.0 CB A:SER101 3.5 17.2 1.0 CB A:THR170 3.7 37.4 1.0 OD1 A:ASP198 4.0 19.1 1.0 CG2 A:THR170 4.0 39.2 1.0 N A:SER101 4.1 16.0 1.0 O A:GLU200 4.1 35.2 1.0 OD2 A:ASP97 4.2 18.7 1.0 OD1 A:ASP97 4.2 15.8 1.0 OD2 A:ASP198 4.3 19.0 1.0 CA A:SER101 4.4 14.7 1.0 CB A:GLU200 4.4 38.0 1.0 CE1 A:HIS202 4.5 52.8 0.5 O A:GLY169 4.6 34.5 1.0 CG A:ASP198 4.6 18.6 1.0 CA A:SER99 4.6 16.3 1.0 CG A:ASP97 4.6 16.6 1.0 C A:SER99 4.7 16.0 1.0 CA A:THR170 4.8 34.8 1.0 N A:ASN100 4.9 17.1 1.0 OE2 A:GLU200 4.9 46.7 1.0 C A:GLY169 5.0 44.2 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of An Aerotolerance-Related Membrane Protein From Bacteroides Fragilis Nctc 9343 with Multiple Mutations to Serines.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of An Aerotolerance-Related Membrane Protein From Bacteroides Fragilis Nctc 9343 with Multiple Mutations to Serines. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:21.4 occ:0.46 CA A:CA302 0.0 21.4 0.5 CA A:CA302 2.0 16.1 0.5 OD1 A:ASP198 2.6 19.1 1.0 OD2 A:ASP97 2.6 18.7 1.0 OG1 A:THR170 3.0 31.7 1.0 OG A:SER99 3.0 19.4 1.0 OG A:SER101 3.1 16.5 1.0 CG2 A:THR170 3.3 39.2 1.0 CG A:ASP198 3.5 18.6 1.0 CG A:ASP97 3.5 16.6 1.0 OD1 A:ASP97 3.6 15.8 1.0 O A:HOH488 3.7 52.5 1.0 OD2 A:ASP198 3.7 19.0 1.0 CB A:THR170 3.8 37.4 1.0 O A:GLU200 3.8 35.2 1.0 CB A:GLU200 4.0 38.0 1.0 OG1 A:THR197 4.1 14.3 1.0 N A:GLU200 4.2 27.4 1.0 C A:GLU200 4.3 44.0 1.0 CB A:SER99 4.3 20.5 1.0 CA A:GLU200 4.4 35.5 1.0 CB A:SER101 4.5 17.2 1.0 O A:HOH533 4.6 30.7 1.0 N A:ASP198 4.7 15.0 1.0 N A:GLY199 4.7 19.3 1.0 CB A:ASP198 4.8 18.1 1.0 CG A:MSE102 4.9 16.1 1.0 CB A:ASP97 4.9 13.4 1.0

Y.Fan, K.Tan, L.Bigelow, J.Bearden, A.Joachimiak. The Crystal Structure of An Aerotolerance-Related Membrane Protein From Bacteroides Fragilis Nctc 9343 with Multiple Mutations to Serines. To Be Published.