Magnesium in PDB 3ozx: Crystal Structure of ABCE1 of Sulfolubus Solfataricus (-Fes Domain)

The structure of Crystal Structure of ABCE1 of Sulfolubus Solfataricus (-Fes Domain), PDB code: 3ozx was solved by D.Barthelme, R.Tampe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.05
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.374, 63.656, 81.778, 89.15, 84.47, 69.82
R / Rfree (%)	18.6 / 24.5

The binding sites of Magnesium atom in the Crystal Structure of ABCE1 of Sulfolubus Solfataricus (-Fes Domain) (pdb code 3ozx). 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 ABCE1 of Sulfolubus Solfataricus (-Fes Domain), PDB code: 3ozx:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of ABCE1 of Sulfolubus Solfataricus (-Fes Domain)


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 ABCE1 of Sulfolubus Solfataricus (-Fes Domain) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg613 b:12.0 occ:1.00 O A:HOH3003 1.9 13.5 1.0 O A:HOH3243 1.9 19.5 1.0 NE2 A:GLN411 2.0 15.4 1.0 OG1 A:THR382 2.0 13.5 1.0 O1B A:ADP615 2.0 12.6 1.0 O A:HOH3024 2.1 10.3 1.0 CD A:GLN411 3.1 17.2 1.0 CB A:THR382 3.1 13.4 1.0 PB A:ADP615 3.2 14.2 1.0 OE1 A:GLN411 3.4 18.1 1.0 O3B A:ADP615 3.4 15.8 1.0 NE2 A:GLN485 3.7 15.5 1.0 N A:THR382 4.0 13.0 1.0 OD2 A:ASP484 4.0 19.3 1.0 CA A:THR382 4.1 13.6 1.0 O2A A:ADP615 4.1 13.1 1.0 CG2 A:THR382 4.1 14.4 1.0 OD1 A:ASP484 4.2 18.0 1.0 O3A A:ADP615 4.2 14.5 1.0 O A:HOH3217 4.3 24.9 1.0 O2B A:ADP615 4.3 14.0 1.0 CG A:GLN411 4.4 17.1 1.0 CB A:GLN411 4.5 18.0 1.0 CD A:GLN485 4.5 17.5 1.0 CG A:ASP484 4.5 18.5 1.0 PA A:ADP615 4.6 11.5 1.0 OD1 A:ASN377 4.9 17.9 1.0 O A:HOH3074 4.9 29.1 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of ABCE1 of Sulfolubus Solfataricus (-Fes Domain)


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 ABCE1 of Sulfolubus Solfataricus (-Fes Domain) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg614 b:16.0 occ:1.00 O A:HOH3230 2.0 19.9 1.0 OE1 A:GLN167 2.1 17.9 1.0 OG1 A:THR113 2.1 19.9 1.0 O1B A:ADP616 2.2 14.1 1.0 O A:HOH3064 2.2 22.9 1.0 O A:HOH3028 2.4 22.3 1.0 CD A:GLN167 3.1 19.5 1.0 CB A:THR113 3.2 19.1 1.0 PB A:ADP616 3.3 14.3 1.0 O3B A:ADP616 3.6 14.2 1.0 NE2 A:GLN167 3.6 17.1 1.0 NE2 A:GLN238 3.8 15.7 1.0 N A:THR113 3.9 17.6 1.0 O2A A:ADP616 4.0 18.3 1.0 OD2 A:ASP237 4.0 20.0 1.0 OD1 A:ASP237 4.0 20.3 1.0 CA A:THR113 4.1 19.3 1.0 CG2 A:THR113 4.3 19.1 1.0 O2B A:ADP616 4.4 11.8 1.0 O3A A:ADP616 4.4 15.5 1.0 OH A:TYR168 4.4 38.3 1.0 CG A:ASP237 4.4 19.9 1.0 CG A:GLN167 4.5 18.6 1.0 CD A:GLN238 4.6 18.0 1.0 CB A:GLN167 4.7 21.2 1.0 PA A:ADP616 4.7 16.3 1.0 O A:HOH3231 4.8 37.0 1.0 OD1 A:ASN108 4.8 18.0 1.0 CE A:LYS112 4.9 15.4 1.0 CB A:LYS112 4.9 17.9 1.0 C A:LYS112 4.9 17.2 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of ABCE1 of Sulfolubus Solfataricus (-Fes Domain)


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 ABCE1 of Sulfolubus Solfataricus (-Fes Domain) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg613 b:15.4 occ:1.00 O B:HOH3026 2.0 22.7 1.0 OG1 B:THR382 2.0 13.6 1.0 NE2 B:GLN411 2.0 13.9 1.0 O B:HOH3242 2.1 11.9 1.0 O1B B:ADP615 2.1 14.2 1.0 O B:HOH3209 2.1 10.4 1.0 CD B:GLN411 3.1 15.9 1.0 CB B:THR382 3.2 15.8 1.0 PB B:ADP615 3.2 18.6 1.0 OE1 B:GLN411 3.4 18.2 1.0 O3B B:ADP615 3.5 19.2 1.0 NE2 B:GLN485 3.6 17.0 1.0 N B:THR382 4.0 16.7 1.0 OD1 B:ASP484 4.0 18.9 1.0 OD2 B:ASP484 4.1 16.9 1.0 CA B:THR382 4.1 16.1 1.0 O2A B:ADP615 4.2 22.7 1.0 CG2 B:THR382 4.3 14.7 1.0 O2B B:ADP615 4.3 16.9 1.0 O3A B:ADP615 4.3 20.9 1.0 CD B:GLN485 4.4 18.9 1.0 CG B:GLN411 4.4 17.3 1.0 CG B:ASP484 4.5 17.5 1.0 CB B:GLN411 4.7 16.5 1.0 PA B:ADP615 4.7 22.6 1.0 O B:HOH3108 4.7 23.1 1.0 OD1 B:ASN377 4.8 24.5 1.0 CE B:LYS381 4.8 12.9 1.0 CB B:LYS381 4.9 13.9 1.0 OE1 B:GLN485 4.9 20.6 1.0 C B:LYS381 5.0 17.1 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of ABCE1 of Sulfolubus Solfataricus (-Fes Domain)


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 ABCE1 of Sulfolubus Solfataricus (-Fes Domain) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg614 b:18.6 occ:1.00 O1B B:ADP616 2.1 12.3 1.0 O B:HOH3001 2.1 11.0 1.0 O B:HOH3018 2.1 18.1 1.0 OE1 B:GLN167 2.2 22.5 1.0 OG1 B:THR113 2.2 20.2 1.0 O B:HOH3005 2.3 18.6 1.0 CB B:THR113 3.1 19.2 1.0 CD B:GLN167 3.2 21.9 1.0 PB B:ADP616 3.2 13.0 1.0 O3B B:ADP616 3.3 12.1 1.0 NE2 B:GLN167 3.7 23.8 1.0 O2A B:ADP616 3.8 17.1 1.0 NE2 B:GLN238 3.8 14.0 1.0 N B:THR113 3.9 16.4 1.0 CA B:THR113 4.1 17.7 1.0 OD2 B:ASP237 4.1 16.2 1.0 O3A B:ADP616 4.2 13.1 1.0 OD1 B:ASP237 4.2 18.3 1.0 CG2 B:THR113 4.3 20.5 1.0 OH B:TYR168 4.3 44.3 1.0 O2B B:ADP616 4.4 12.4 1.0 PA B:ADP616 4.5 15.4 1.0 CG B:GLN167 4.5 25.1 1.0 CG B:ASP237 4.6 18.8 1.0 CD B:GLN238 4.7 17.3 1.0 O B:HOH3030 4.7 28.0 1.0 CB B:GLN167 4.8 24.4 1.0 CB B:LYS112 4.8 14.6 1.0 OD1 B:ASN108 4.8 18.0 1.0 C B:LYS112 4.9 15.9 1.0 NZ B:LYS112 5.0 15.3 1.0

D.Barthelme, S.Dinkelaker, S.-V.Albers, P.Londei, U.Ermler, R.Tampe. Ribosome Recycling in Archaea A Mechanistic Link Between Fes Cluster Biosynthesis and Conformational Switch of Twin-Atpase ABCE1 To Be Published.