Calcium in PDB 3mxi: TREX1 3' Exonuclease D18N Familial Chilblain Lupus Mutant

All present enzymatic activity of TREX1 3' Exonuclease D18N Familial Chilblain Lupus Mutant:
3.1.11.2;

The structure of TREX1 3' Exonuclease D18N Familial Chilblain Lupus Mutant, PDB code: 3mxi 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)	31.48 / 2.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.028, 58.776, 66.523, 90.00, 110.33, 90.00
R / Rfree (%)	20.9 / 26.2

The binding sites of Calcium atom in the TREX1 3' Exonuclease D18N Familial Chilblain Lupus Mutant (pdb code 3mxi). 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 D18N Familial Chilblain Lupus Mutant, PDB code: 3mxi:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the TREX1 3' Exonuclease D18N Familial Chilblain Lupus 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 D18N Familial Chilblain Lupus Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca243 b:40.6 occ:1.00 OP1 C:DG4 2.5 20.2 1.0 OE2 B:GLU20 2.6 20.7 1.0 OD2 B:ASP200 2.7 31.4 1.0 ND2 B:ASN18 3.2 22.1 1.0 OE1 B:GLU20 3.3 23.4 1.0 CD B:GLU20 3.3 21.5 1.0 CA B:HIS195 3.4 31.6 1.0 CG B:ASP200 3.5 31.4 1.0 CB B:ASP200 3.6 21.9 1.0 OD1 B:ASN18 3.7 14.6 1.0 P C:DG4 3.8 23.1 1.0 CD2 B:HIS195 3.9 30.6 1.0 CG B:ASN18 3.9 21.4 1.0 O B:THR196 3.9 20.8 1.0 N B:HIS195 4.0 32.2 1.0 O B:LEU19 4.0 17.2 1.0 CG B:HIS195 4.1 34.0 1.0 C B:HIS195 4.2 29.6 1.0 CB B:HIS195 4.2 30.9 1.0 OP2 C:DG4 4.3 18.5 1.0 O C:HOH74 4.4 28.7 1.0 O5' C:DG4 4.5 20.7 1.0 N B:THR196 4.5 27.2 1.0 CA C:CA5 4.5 43.0 1.0 C B:THR196 4.5 23.4 1.0 OD1 B:ASP200 4.6 32.0 1.0 NE2 B:HIS195 4.6 34.4 1.0 C5' C:DG4 4.7 21.8 1.0 CG B:GLU20 4.7 16.9 1.0 O B:HIS195 4.9 25.6 1.0 ND1 B:HIS195 4.9 38.3 1.0 CA B:ASP200 4.9 24.3 1.0 O3' C:DC3 4.9 21.4 1.0

Calcium binding site 2 out of 4 in the TREX1 3' Exonuclease D18N Familial Chilblain Lupus 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 D18N Familial Chilblain Lupus Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca243 b:37.9 occ:1.00 OE2 A:GLU20 2.6 24.8 1.0 OP1 D:DG4 2.7 22.7 1.0 OD2 A:ASP200 3.0 32.6 1.0 ND2 A:ASN18 3.1 18.0 1.0 CB A:ASP200 3.4 16.5 1.0 CG A:ASP200 3.4 24.9 1.0 CD A:GLU20 3.4 24.1 1.0 OE1 A:GLU20 3.5 26.0 1.0 CA A:HIS195 3.5 34.5 1.0 CD2 A:HIS195 3.7 36.0 1.0 OD1 A:ASN18 3.8 16.2 1.0 CG A:ASN18 3.9 20.4 1.0 P D:DG4 4.0 29.1 1.0 N A:HIS195 4.0 34.1 1.0 CG A:HIS195 4.1 35.3 1.0 O D:HOH23 4.2 18.4 1.0 CA D:CA5 4.2 35.5 1.0 C A:HIS195 4.2 28.0 1.0 CB A:HIS195 4.3 32.0 1.0 OD1 A:ASP200 4.4 26.9 1.0 O A:LEU19 4.4 19.3 1.0 N A:THR196 4.4 28.2 1.0 OP2 D:DG4 4.5 23.5 1.0 NE2 A:HIS195 4.5 32.7 1.0 O A:THR196 4.5 28.0 1.0 C A:THR196 4.7 24.3 1.0 CA A:ASP200 4.8 18.7 1.0 O5' D:DG4 4.8 23.5 1.0 CG A:GLU20 4.8 19.4 1.0 N A:ALA197 5.0 20.6 1.0 O D:HOH6 5.0 19.2 1.0

Calcium binding site 3 out of 4 in the TREX1 3' Exonuclease D18N Familial Chilblain Lupus 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 D18N Familial Chilblain Lupus Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca5 b:43.0 occ:1.00 O C:HOH74 2.6 28.7 1.0 OD1 B:ASN18 2.7 14.6 1.0 O B:HOH250 2.7 19.7 1.0 OP1 C:DG4 2.9 20.2 1.0 O3' C:DC3 3.0 21.4 1.0 O B:HOH248 3.3 18.4 1.0 O B:HOH272 3.6 18.5 1.0 P C:DG4 3.6 23.1 1.0 OD1 B:ASP130 3.8 18.6 1.0 CG B:ASN18 3.8 21.4 1.0 C4' C:DC3 4.1 23.8 1.0 C3' C:DC3 4.1 21.8 1.0 O B:HIS124 4.1 21.8 1.0 OD2 B:ASP130 4.1 19.4 1.0 C5' C:DC3 4.4 23.4 1.0 CG B:ASP130 4.4 20.7 1.0 O B:LEU19 4.4 17.2 1.0 CA B:CA243 4.5 40.6 1.0 N B:LEU19 4.6 20.2 1.0 OP2 C:DG4 4.7 18.5 1.0 ND2 B:ASN18 4.7 22.1 1.0 C5' C:DG4 4.7 21.8 1.0 O5' C:DG4 4.7 20.7 1.0 CB B:ASN18 4.8 16.2 1.0 CA B:ASN18 4.9 16.9 1.0 O C:HOH65 4.9 27.3 1.0 CB B:HIS124 4.9 18.4 1.0 C2' C:DC3 5.0 20.5 1.0

Calcium binding site 4 out of 4 in the TREX1 3' Exonuclease D18N Familial Chilblain Lupus 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 D18N Familial Chilblain Lupus Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca5 b:35.5 occ:1.00 OD1 A:ASN18 2.5 16.2 1.0 O D:HOH23 2.5 18.4 1.0 O A:HOH254 2.6 13.1 1.0 O A:HOH253 2.7 15.6 1.0 OP1 D:DG4 2.7 22.7 1.0 O3' D:DC3 2.8 19.9 1.0 P D:DG4 3.3 29.1 1.0 O A:HOH246 3.4 15.1 1.0 CG A:ASN18 3.7 20.4 1.0 C3' D:DC3 4.0 24.1 1.0 OD2 A:ASP130 4.0 17.5 1.0 O A:LEU19 4.1 19.3 1.0 C4' D:DC3 4.2 22.2 1.0 CA A:CA243 4.2 37.9 1.0 OD1 A:ASP130 4.3 18.4 1.0 ND2 A:ASN18 4.3 18.0 1.0 OP2 D:DG4 4.3 23.5 1.0 O A:HIS124 4.4 23.2 1.0 O5' D:DG4 4.5 23.5 1.0 O D:HOH6 4.5 19.2 1.0 O A:HOH250 4.5 18.2 1.0 C5' D:DC3 4.5 24.8 1.0 C5' D:DG4 4.5 17.5 1.0 CG A:ASP130 4.6 16.8 1.0 N A:LEU19 4.7 18.5 1.0 CB A:ASN18 4.8 20.0 1.0 C2' D:DC3 4.9 22.4 1.0 CA A:ASN18 5.0 18.1 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.