Calcium in PDB 3mxm: TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant

All present enzymatic activity of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant:
3.1.11.2;

The structure of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant, PDB code: 3mxm was solved by S.L.Bailey, T.Hollis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.71 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.468, 86.026, 92.790, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.3

The structure of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant also contains other interesting chemical elements:

Iodine

(I)

12 atoms

The binding sites of Calcium atom in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant (pdb code 3mxm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant, PDB code: 3mxm:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca243 b:16.3 occ:0.44 OP1 D:DG4 2.5 16.4 1.0 OE1 B:GLU20 2.6 13.2 1.0 OD2 B:ASP18 2.6 11.8 1.0 OD2 B:ASP200 2.6 12.2 1.0 CB B:ASP200 3.4 12.3 1.0 CD B:GLU20 3.4 15.0 1.0 CG B:ASP200 3.4 13.3 1.0 CG B:ASP18 3.5 15.2 1.0 OE2 B:GLU20 3.5 15.4 1.0 OD1 B:ASP18 3.6 10.7 1.0 CA D:CA5 3.7 15.4 0.6 CA B:HIS195 3.8 16.0 1.0 P D:DG4 3.9 14.7 1.0 CD2 B:HIS195 3.9 17.5 1.0 O B:LEU19 4.1 13.8 1.0 O B:THR196 4.1 12.7 1.0 O D:HOH37 4.2 14.4 1.0 N B:HIS195 4.2 13.6 1.0 C B:HIS195 4.4 17.9 1.0 CG B:HIS195 4.5 20.3 1.0 O5' D:DG4 4.5 11.6 1.0 OP2 D:DG4 4.6 16.7 1.0 O B:HOH282 4.6 22.7 1.0 OD1 B:ASP200 4.6 15.8 1.0 C B:THR196 4.6 12.4 1.0 CB B:HIS195 4.7 17.9 1.0 N B:THR196 4.7 12.7 1.0 NE2 B:HIS195 4.7 17.7 1.0 CG B:GLU20 4.8 15.9 1.0 CA B:ASP200 4.8 12.9 1.0 C5' D:DG4 4.8 12.3 1.0 O B:HOH276 4.9 14.1 1.0 O D:HOH50 4.9 16.6 1.0 CB B:ASP18 4.9 10.4 1.0 O B:HOH252 4.9 14.4 1.0 O3' D:DC3 4.9 13.0 1.0 CA B:ALA197 4.9 9.9 1.0

Calcium binding site 2 out of 4 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca243 b:19.1 occ:0.54 OD2 A:ASP200 2.5 13.6 1.0 OP1 C:DG4 2.5 12.4 1.0 OE1 A:GLU20 2.6 10.5 1.0 OD2 A:ASP18 2.6 11.4 1.0 CG A:ASP200 3.3 13.2 1.0 CB A:ASP200 3.3 9.0 1.0 CD A:GLU20 3.4 15.0 1.0 OE2 A:GLU20 3.5 12.3 1.0 CG A:ASP18 3.5 11.3 1.0 OD1 A:ASP18 3.6 9.5 1.0 CA C:CA5 3.8 12.9 0.6 CA A:HIS195 3.9 19.3 1.0 P C:DG4 3.9 10.7 1.0 CD2 A:HIS195 3.9 29.6 1.0 O A:THR196 4.1 11.4 1.0 O C:HOH45 4.2 13.0 1.0 O A:LEU19 4.3 11.8 1.0 N A:HIS195 4.3 19.0 1.0 C A:HIS195 4.4 15.3 1.0 OD1 A:ASP200 4.5 18.2 1.0 CG A:HIS195 4.5 28.0 1.0 OP2 C:DG4 4.5 12.8 1.0 C A:THR196 4.6 10.8 1.0 O5' C:DG4 4.7 11.1 1.0 CB A:HIS195 4.7 20.3 1.0 O A:HOH464 4.7 27.5 1.0 N A:THR196 4.7 13.2 1.0 NE2 A:HIS195 4.8 30.6 1.0 CA A:ASP200 4.8 9.0 1.0 CG A:GLU20 4.8 12.9 1.0 O A:HOH257 4.9 10.2 1.0 O A:HOH260 4.9 13.3 1.0 C5' C:DG4 4.9 11.9 1.0 O3' C:DC3 4.9 9.5 1.0 CB A:ASP18 4.9 8.9 1.0 CA A:ALA197 5.0 7.7 1.0 O C:HOH32 5.0 14.2 1.0

Calcium binding site 3 out of 4 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca5 b:12.9 occ:0.64 O A:HOH255 2.4 9.1 1.0 O C:HOH45 2.4 13.0 1.0 OD1 A:ASP18 2.4 9.5 1.0 O A:HOH257 2.4 10.2 1.0 OP1 C:DG4 2.5 12.4 1.0 O3' C:DC3 2.7 9.5 1.0 P C:DG4 3.2 10.7 1.0 CG A:ASP18 3.5 11.3 1.0 CA A:CA243 3.8 19.1 0.5 C3' C:DC3 4.0 10.7 1.0 O A:HOH259 4.0 9.3 1.0 OD2 A:ASP18 4.0 11.4 1.0 O A:LEU19 4.1 11.8 1.0 O A:HOH260 4.1 13.3 1.0 OD2 A:ASP130 4.2 9.9 1.0 C4' C:DC3 4.2 11.5 1.0 C5' C:DG4 4.2 11.9 1.0 OD1 A:ASP130 4.3 11.6 1.0 O5' C:DG4 4.3 11.1 1.0 OP2 C:DG4 4.3 12.8 1.0 O C:HOH32 4.4 14.2 1.0 O A:HIS124 4.5 12.4 1.0 C5' C:DC3 4.5 10.0 1.0 CG A:ASP130 4.6 8.2 1.0 N A:LEU19 4.7 8.5 1.0 CB A:ASP18 4.7 8.9 1.0 C2' C:DC3 4.8 10.1 1.0 CA A:ASP18 5.0 9.2 1.0

Calcium binding site 4 out of 4 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca5 b:15.4 occ:0.61 O D:HOH37 2.4 14.4 1.0 OD1 B:ASP18 2.4 10.7 1.0 O B:HOH256 2.4 11.8 1.0 OP1 D:DG4 2.4 16.4 1.0 O B:HOH252 2.5 14.4 1.0 O3' D:DC3 2.7 13.0 1.0 P D:DG4 3.2 14.7 1.0 CG B:ASP18 3.5 15.2 1.0 CA B:CA243 3.7 16.3 0.4 O B:HOH251 4.0 11.8 1.0 OD2 B:ASP18 4.0 11.8 1.0 C3' D:DC3 4.0 11.1 1.0 O B:HOH276 4.1 14.1 1.0 O B:LEU19 4.1 13.8 1.0 C4' D:DC3 4.2 11.0 1.0 OD2 B:ASP130 4.2 12.7 1.0 OP2 D:DG4 4.2 16.7 1.0 O D:HOH50 4.2 16.6 1.0 O5' D:DG4 4.3 11.6 1.0 OD1 B:ASP130 4.3 13.9 1.0 C5' D:DG4 4.3 12.3 1.0 C5' D:DC3 4.4 13.5 1.0 O B:HIS124 4.5 14.2 1.0 CG B:ASP130 4.7 14.1 1.0 N B:LEU19 4.7 10.2 1.0 CB B:ASP18 4.7 10.4 1.0 C2' D:DC3 4.9 12.7 1.0 CA B:ASP18 5.0 8.2 1.0

S.L.Bailey, S.Harvey, F.W.Perrino, T.Hollis. X-Ray Crystal Structures of TREX1 3' Exonuclease Autoimmune Disease Mutants To Be Published.