Calcium in PDB 3mse: Crystal Structure of C-Terminal Domain of PF110239.

The structure of Crystal Structure of C-Terminal Domain of PF110239., PDB code: 3mse was solved by A.K.Wernimont, J.D.Artz, A.Hutchinson, H.Sullivan, J.Weadge, W.Tempel, A.Bochkarev, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, R.Hui, Y.H.Lin, A.M.Neculai, M.Amani, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.757, 101.757, 44.895, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 26.4

The binding sites of Calcium atom in the Crystal Structure of C-Terminal Domain of PF110239. (pdb code 3mse). 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 C-Terminal Domain of PF110239., PDB code: 3mse:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of C-Terminal Domain of PF110239.


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 C-Terminal Domain of PF110239. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca180 b:55.5 occ:1.00 O B:HOH199 2.0 55.5 1.0 O B:HOH184 2.3 55.6 1.0 OD2 B:ASP117 2.3 48.6 1.0 O B:TYR123 2.4 56.1 1.0 OD2 B:ASP128 2.5 43.1 1.0 OD2 B:ASP121 2.6 63.1 1.0 OD1 B:ASP121 2.7 63.2 1.0 CG B:ASP121 3.0 62.7 1.0 CG B:ASP117 3.4 50.3 1.0 CG B:ASP128 3.5 43.4 1.0 C B:TYR123 3.6 56.4 1.0 OD1 B:ASP128 3.8 46.2 1.0 CA B:ASP117 4.1 50.1 1.0 CB B:ASP117 4.2 50.0 1.0 OD1 B:ASP117 4.4 50.1 1.0 OG B:SER125 4.4 51.6 1.0 N B:TYR123 4.4 58.1 1.0 N B:SER125 4.4 51.6 1.0 C B:ASP117 4.4 51.4 1.0 CB B:ASP121 4.4 61.1 1.0 CA B:TYR123 4.5 57.5 1.0 N B:ILE124 4.6 54.7 1.0 N B:ASP119 4.6 57.6 1.0 N B:ASP121 4.6 61.0 1.0 CA B:ILE124 4.6 53.1 1.0 N B:LYS118 4.6 52.9 1.0 CB B:ASP119 4.8 59.4 1.0 CB B:ASP128 4.8 41.3 1.0 CB B:TYR123 4.9 58.4 1.0 CB B:SER125 4.9 51.0 1.0 N B:GLU120 5.0 60.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of C-Terminal Domain of PF110239.


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 C-Terminal Domain of PF110239. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca183 b:34.6 occ:1.00 O B:HOH185 1.9 27.8 1.0 OD1 B:ASP48 2.1 39.7 1.0 O B:SER54 2.3 39.4 1.0 OD1 B:ASN50 2.3 45.3 1.0 OD1 B:ASN52 2.4 39.7 1.0 OE1 B:GLU59 2.6 38.0 1.0 OE2 B:GLU59 2.6 36.1 1.0 CD B:GLU59 2.9 36.2 1.0 CG B:ASN52 3.2 43.3 1.0 CG B:ASP48 3.3 42.6 1.0 CG B:ASN50 3.4 46.9 1.0 C B:SER54 3.5 39.1 1.0 ND2 B:ASN52 3.6 42.0 1.0 ND2 B:ASN50 3.8 43.5 1.0 CA B:ASP48 3.9 43.7 1.0 CB B:ASP48 4.1 43.6 1.0 OD2 B:ASP48 4.2 44.2 1.0 N B:ASN52 4.2 46.4 1.0 O B:HOH210 4.3 52.6 1.0 N B:SER54 4.3 40.5 1.0 C B:ASP48 4.3 44.5 1.0 CA B:LEU55 4.4 37.1 1.0 N B:LEU55 4.4 37.8 1.0 CB B:ASN52 4.4 44.1 1.0 N B:ASN50 4.4 47.3 1.0 CG B:GLU59 4.5 35.6 1.0 CA B:SER54 4.5 39.8 1.0 O B:HOH206 4.5 48.0 1.0 N B:HIS51 4.6 48.5 1.0 N B:THR49 4.6 44.8 1.0 CB B:ASN50 4.6 47.1 1.0 N B:SER56 4.7 34.6 1.0 CA B:ASN52 4.7 44.6 1.0 OG B:SER54 4.7 39.5 1.0 N B:GLY53 4.8 42.5 1.0 CD2 B:LEU55 4.8 36.9 1.0 CA B:ASN50 4.9 47.8 1.0 C B:ASN50 4.9 48.2 1.0 C B:ASN52 4.9 43.8 1.0 O B:ASP48 4.9 44.7 1.0 C B:LEU55 5.0 35.4 1.0

A.K.Wernimont, J.D.Artz, A.Hutchinson, H.Sullivan, J.Weadge, W.Tempel, A.Bochkarev, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, R.Hui, Y.H.Lin, A.M.Neculai, M.Amani, Structural Genomics Consortium (Sgc). Crystal Structure of C-Terminal Domain of PF110239 To Be Published.