Calcium in PDB 3qwu: Putative Atp-Dependent Dna Ligase From Aquifex Aeolicus.

The structure of Putative Atp-Dependent Dna Ligase From Aquifex Aeolicus., PDB code: 3qwu was solved by J.Osipiuk, P.Quartey, F.Collart, 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)	49.58 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	91.366, 99.165, 103.278, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25.5

The binding sites of Calcium atom in the Putative Atp-Dependent Dna Ligase From Aquifex Aeolicus. (pdb code 3qwu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Putative Atp-Dependent Dna Ligase From Aquifex Aeolicus., PDB code: 3qwu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Putative Atp-Dependent Dna Ligase From Aquifex Aeolicus.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Putative Atp-Dependent Dna Ligase From Aquifex Aeolicus. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:84.1 occ:1.00 O A:HOH398 2.2 40.2 1.0 O A:HOH410 2.3 46.8 1.0 OD1 A:ASP236 2.5 29.3 1.0 OE1 A:GLU140 2.5 59.1 1.0 OD2 A:ASP79 2.6 51.0 1.0 CD A:GLU140 3.2 56.8 1.0 OE2 A:GLU140 3.3 59.0 1.0 CG A:ASP79 3.5 40.3 1.0 CG A:ASP236 3.5 30.9 1.0 OE1 A:GLU211 3.8 41.9 1.0 OD2 A:ASP236 3.9 32.5 1.0 OD1 A:ASP79 3.9 44.4 1.0 O A:ALA232 4.0 30.2 1.0 CB A:ALA232 4.4 26.9 1.0 CB A:ASP79 4.5 34.6 1.0 CA A:ALA232 4.6 28.1 1.0 N A:ASP236 4.6 30.8 1.0 CG A:GLU140 4.7 51.4 1.0 CD A:GLU211 4.7 36.6 1.0 C A:ALA232 4.7 28.1 1.0 CB A:ASP236 4.8 30.7 1.0 CB A:MET235 4.8 32.8 1.0 CG A:GLU211 4.8 29.8 1.0 CA A:ASP236 4.9 31.6 1.0

Calcium binding site 2 out of 2 in the Putative Atp-Dependent Dna Ligase From Aquifex Aeolicus.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Putative Atp-Dependent Dna Ligase From Aquifex Aeolicus. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:68.9 occ:1.00 OE1 B:GLU140 2.3 47.1 1.0 O B:HOH412 2.3 47.4 1.0 OD1 B:ASP236 2.5 37.4 1.0 OD2 B:ASP79 2.7 40.7 1.0 CD B:GLU140 3.0 48.7 1.0 OE2 B:GLU140 3.2 53.0 1.0 CG B:ASP79 3.4 32.2 1.0 CG B:ASP236 3.5 36.4 1.0 OD1 B:ASP79 3.6 30.2 1.0 OD2 B:ASP236 3.8 37.7 1.0 OE2 B:GLU211 4.1 49.2 1.0 O B:ALA232 4.1 33.5 1.0 CG B:GLU140 4.4 43.9 1.0 N B:ASP236 4.6 34.1 1.0 CB B:GLU140 4.6 41.4 1.0 CB B:ALA232 4.7 30.8 1.0 CB B:ASP236 4.8 34.2 1.0 CB B:ASP79 4.8 29.5 1.0 CA B:ALA232 4.8 31.8 1.0 CA B:ASP236 4.9 34.1 1.0 CD B:GLU211 4.9 38.6 1.0 CB B:MET235 4.9 34.5 1.0 C B:ALA232 4.9 31.9 1.0

J.Osipiuk, P.Quartey, F.Collart, A.Joachimiak. Putative Atp-Dependent Dna Ligase From Aquifex Aeolicus. To Be Published.