Calcium in PDB 3u3y: Mouse TREX1 D200H Mutant

All present enzymatic activity of Mouse TREX1 D200H Mutant:
3.1.11.2;

The structure of Mouse TREX1 D200H Mutant, PDB code: 3u3y was solved by S.L.Bailey, S.Harvey, F.W.Perrino, T.Hollis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.72 / 2.28
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.066, 57.861, 68.227, 90.00, 108.11, 90.00
R / Rfree (%)	21.3 / 27.5

The binding sites of Calcium atom in the Mouse TREX1 D200H Mutant (pdb code 3u3y). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Mouse TREX1 D200H Mutant, PDB code: 3u3y:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Mouse TREX1 D200H Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mouse TREX1 D200H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca5 b:47.5 occ:1.00 OP1 C:DG4 2.5 23.9 1.0 OD1 A:ASP18 2.5 26.6 1.0 O A:HOH344 2.6 20.7 1.0 O A:HOH349 2.7 22.6 1.0 O3' C:DC3 2.7 26.9 1.0 P C:DG4 3.2 24.2 1.0 CG A:ASP18 3.6 25.4 1.0 HD2 A:HIS200 3.6 32.7 1.0 O A:HOH340 3.9 21.0 1.0 C3' C:DC3 3.9 45.0 1.0 OD2 A:ASP18 4.1 28.2 1.0 C4' C:DC3 4.1 38.2 1.0 CD2 A:HIS200 4.1 27.2 1.0 O A:HOH354 4.1 25.0 1.0 OD2 A:ASP130 4.2 24.5 1.0 H A:LEU19 4.2 32.0 1.0 C5' C:DG4 4.2 29.4 1.0 O5' C:DG4 4.3 28.6 1.0 OD1 A:ASP130 4.3 30.8 1.0 HB3 A:HIS200 4.3 33.3 1.0 OP2 C:DG4 4.3 36.4 1.0 O A:LEU19 4.4 22.5 1.0 O C:HOH53 4.4 38.0 1.0 HA A:ASP18 4.4 37.5 1.0 O A:HIS124 4.5 34.8 1.0 C5' C:DC3 4.5 36.0 1.0 HB3 A:HIS124 4.7 37.6 1.0 CG A:ASP130 4.7 27.8 1.0 CG A:HIS200 4.7 32.0 1.0 CB A:ASP18 4.8 26.5 1.0 HD2 A:TYR129 4.8 34.5 1.0 HB2 A:ASP18 4.8 31.8 1.0 C2' C:DC3 4.9 34.7 1.0 NE2 A:HIS200 4.9 34.6 1.0 N A:LEU19 4.9 26.7 1.0 HD22 A:LEU179 4.9 38.2 1.0 CB A:HIS200 5.0 27.7 1.0

Calcium binding site 2 out of 2 in the Mouse TREX1 D200H Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mouse TREX1 D200H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca5 b:35.0 occ:1.00 O3' D:DC3 2.5 29.9 1.0 OP1 D:DG4 2.5 32.0 1.0 OD1 B:ASP18 2.6 20.3 1.0 O B:HOH331 2.6 19.6 1.0 O B:HOH355 2.6 26.2 1.0 O B:HOH386 2.7 33.2 1.0 P D:DG4 3.1 25.8 1.0 CG B:ASP18 3.7 29.9 1.0 C3' D:DC3 3.7 37.0 1.0 C4' D:DC3 3.9 31.2 1.0 O B:HOH329 3.9 19.5 1.0 HD2 B:HIS200 3.9 30.9 1.0 O5' D:DG4 4.2 23.2 1.0 OD1 B:ASP130 4.2 34.3 1.0 OP2 D:DG4 4.2 38.4 1.0 O B:HOH332 4.2 18.8 1.0 C5' D:DC3 4.2 30.8 1.0 C5' D:DG4 4.2 26.5 1.0 OD2 B:ASP130 4.2 26.5 1.0 H B:LEU19 4.3 21.4 1.0 CD2 B:HIS200 4.3 25.7 1.0 O B:LEU19 4.3 24.3 1.0 OD2 B:ASP18 4.4 23.1 1.0 O D:HOH71 4.4 22.5 1.0 OE2 B:GLU20 4.4 21.5 0.7 HB3 B:HIS200 4.4 36.2 1.0 O B:HIS124 4.4 22.8 1.0 HB3 B:HIS124 4.5 34.1 1.0 HA B:ASP18 4.5 32.2 1.0 CG B:ASP130 4.7 27.3 1.0 C2' D:DC3 4.7 33.1 1.0 HD2 B:TYR129 4.8 41.2 1.0 CB B:ASP18 4.8 23.7 1.0 HB2 B:ASP18 4.8 28.4 1.0 CG B:HIS200 4.9 30.8 1.0 N B:LEU19 5.0 17.8 1.0

S.L.Bailey, S.Harvey, F.W.Perrino, T.Hollis. Defects in Dna Degradation Revealed in Crystal Structures of TREX1 Exonuclease Mutations Linked to Autoimmune Disease. Dna Repair V. 11 65 2012.
ISSN: ISSN 1568-7864
PubMed: 22071149
DOI: 10.1016/J.DNAREP.2011.10.007