Magnesium in PDB 4rwn: Crystal Structure of the Pre-Reactive State of Porcine OAS1

All present enzymatic activity of Crystal Structure of the Pre-Reactive State of Porcine OAS1:
2.7.7.84;

The structure of Crystal Structure of the Pre-Reactive State of Porcine OAS1, PDB code: 4rwn was solved by J.Lohoefener, N.Steinke, P.Kay-Fedorov, P.Baruch, A.Nikulin, S.Tishchenko, D.J.Manstein, R.Fedorov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.04 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	72.400, 72.400, 205.950, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.4

The binding sites of Magnesium atom in the Crystal Structure of the Pre-Reactive State of Porcine OAS1 (pdb code 4rwn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the Pre-Reactive State of Porcine OAS1, PDB code: 4rwn:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of the Pre-Reactive State of Porcine OAS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Pre-Reactive State of Porcine OAS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:30.9 occ:1.00 OD1 A:ASP74 2.0 30.2 1.0 O2B A:APC401 2.0 23.8 1.0 O A:HOH501 2.1 22.9 1.0 O2A A:APC401 2.1 23.9 1.0 O3G A:APC401 2.2 29.2 1.0 OD2 A:ASP76 2.2 25.9 1.0 CG A:ASP74 3.1 27.9 1.0 CG A:ASP76 3.1 33.8 1.0 PB A:APC401 3.2 25.0 1.0 OD1 A:ASP76 3.3 27.5 1.0 PA A:APC401 3.3 26.5 1.0 PG A:APC401 3.5 29.3 1.0 OD2 A:ASP74 3.5 31.8 1.0 MG A:MG404 3.6 32.3 1.0 C3A A:APC401 3.6 22.6 1.0 O3B A:APC401 3.7 29.5 1.0 C5' A:APC401 3.9 31.5 1.0 O A:HOH658 4.0 28.2 1.0 O A:HOH617 4.0 25.1 1.0 OG A:SER62 4.0 23.2 1.0 O A:ASP74 4.1 26.1 1.0 O5' A:APC401 4.1 27.8 1.0 N A:SER62 4.2 26.4 1.0 O1G A:APC401 4.2 25.4 1.0 N A:ASP74 4.3 29.5 1.0 CB A:ASP74 4.4 29.6 1.0 C A:ASP74 4.4 30.5 1.0 CB A:ASP76 4.5 27.2 1.0 O1B A:APC401 4.5 27.3 1.0 O A:HOH623 4.5 29.2 1.0 CA A:GLY61 4.5 27.5 1.0 O1A A:APC401 4.5 29.8 1.0 O2G A:APC401 4.6 25.0 1.0 CA A:ASP74 4.6 28.8 1.0 O2' A:APC402 4.8 32.6 1.0 CB A:SER62 4.8 23.3 1.0 C A:GLY61 4.9 25.3 1.0 N A:ASP76 5.0 32.7 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of the Pre-Reactive State of Porcine OAS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Pre-Reactive State of Porcine OAS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:32.3 occ:1.00 OD2 A:ASP147 2.0 37.4 1.0 OD1 A:ASP76 2.0 27.5 1.0 O2' A:APC402 2.0 32.6 1.0 O A:HOH623 2.0 29.2 1.0 OD2 A:ASP74 2.1 31.8 1.0 O2A A:APC401 2.5 23.9 1.0 CG A:ASP147 3.1 40.0 1.0 CG A:ASP74 3.1 27.9 1.0 CG A:ASP76 3.1 33.8 1.0 C2' A:APC402 3.4 39.4 1.0 OD1 A:ASP74 3.5 30.2 1.0 PA A:APC401 3.5 26.5 1.0 MG A:MG403 3.6 30.9 1.0 OD2 A:ASP76 3.7 25.9 1.0 O1A A:APC401 3.7 29.8 1.0 CB A:ASP147 3.7 40.8 1.0 C1' A:APC402 3.8 41.4 1.0 O5' A:APC401 4.1 27.8 1.0 OD1 A:ASP147 4.1 36.9 1.0 O3' A:APC402 4.1 43.8 1.0 C3' A:APC402 4.2 43.4 1.0 C5' A:APC401 4.3 31.5 1.0 CB A:ASP76 4.4 27.2 1.0 CB A:ASP74 4.5 29.6 1.0 C4' A:APC402 4.5 35.2 1.0 O4' A:APC402 4.5 45.2 1.0 O3G A:APC401 4.9 29.2 1.0 CA A:ASP76 5.0 30.7 1.0 CA A:ASP147 5.0 30.9 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of the Pre-Reactive State of Porcine OAS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Pre-Reactive State of Porcine OAS1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:41.3 occ:1.00 O B:HOH237 2.1 35.1 1.0 O B:HOH219 2.1 46.1 1.0 O B:HOH220 2.2 35.6 1.0 O B:HOH217 2.2 41.5 1.0 O B:HOH236 2.3 36.7 1.0 O B:HOH218 2.3 40.3 1.0 O B:HOH206 4.1 29.6 1.0 O B:HOH210 4.2 42.1 1.0 O4 B:U7 4.2 28.5 1.0 O B:HOH202 4.3 30.8 1.0 O B:HOH216 4.4 47.2 1.0 O A:HOH672 4.4 55.2 1.0 N7 B:G8 4.6 24.8 1.0 C4 B:U7 4.6 26.1 1.0 C5 B:U7 4.7 24.2 1.0 O6 B:G8 4.7 27.5 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of the Pre-Reactive State of Porcine OAS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Pre-Reactive State of Porcine OAS1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:52.8 occ:1.00 O B:HOH239 2.2 45.8 1.0 O B:HOH222 2.3 37.5 1.0 O B:HOH221 2.3 40.7 1.0 O B:HOH238 2.4 43.1 1.0 O4 B:U16 2.5 33.3 1.0 O B:HOH223 2.8 44.1 1.0 C4 B:U16 3.4 32.1 1.0 C5 B:U16 3.8 37.8 1.0 O B:HOH228 3.9 42.8 1.0 O6 B:G17 4.4 28.6 1.0 N7 B:A15 4.4 39.8 1.0 N3 B:U16 4.6 29.4 1.0 N6 C:A4 4.7 28.9 1.0 N6 B:A15 4.8 30.6 1.0

J.Lohofener, N.Steinke, P.Kay-Fedorov, P.Baruch, A.Nikulin, S.Tishchenko, D.J.Manstein, R.Fedorov. The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into Oas/Cgas Triggers of Innate Immunity. Structure V. 23 851 2015.
ISSN: ISSN 0969-2126
PubMed: 25892109
DOI: 10.1016/J.STR.2015.03.012