Magnesium in PDB 8vrx: Bile Salt Hydrolase From Arthrobacter Citreus

The structure of Bile Salt Hydrolase From Arthrobacter Citreus, PDB code: 8vrx was solved by A.Ruzzini, P.Dhindwal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.40 / 2.04
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	167.787, 44.071, 86.592, 90, 111.07, 90
R / Rfree (%)	13.3 / 17.2

The binding sites of Magnesium atom in the Bile Salt Hydrolase From Arthrobacter Citreus (pdb code 8vrx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Bile Salt Hydrolase From Arthrobacter Citreus, PDB code: 8vrx:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Bile Salt Hydrolase From Arthrobacter Citreus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bile Salt Hydrolase From Arthrobacter Citreus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:43.8 occ:1.00 O A:HOH748 1.9 36.4 1.0 O A:HOH622 2.1 39.6 1.0 O A:HOH648 2.2 25.3 1.0 O A:HOH501 2.3 29.6 1.0 OE2 A:GLU28 3.1 24.5 1.0 OD1 A:ASP25 3.3 41.2 1.0 CD A:GLU28 3.9 31.5 1.0 OE1 A:GLU28 4.0 22.7 1.0 CG A:ASP25 4.0 49.7 1.0 CG2 A:THR275 4.1 15.9 0.3 OG1 A:THR275 4.2 20.9 0.7 O A:HOH560 4.2 28.5 1.0 OE1 A:GLU293 4.3 18.6 1.0 O A:HOH752 4.4 31.5 1.0 OD2 A:ASP25 4.4 48.3 1.0 O A:THR275 4.5 9.6 0.7 CG2 A:THR291 4.7 12.5 1.0 O A:HOH805 4.8 38.9 1.0 O A:THR275 4.8 10.0 0.3 CB A:THR291 5.0 8.7 1.0

Magnesium binding site 2 out of 4 in the Bile Salt Hydrolase From Arthrobacter Citreus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bile Salt Hydrolase From Arthrobacter Citreus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:47.6 occ:1.00 OD2 A:ASP124 2.7 23.1 0.4 O A:GLY95 3.1 19.4 1.0 OG1 A:THR97 3.3 16.6 1.0 CG A:ASP124 3.7 20.1 0.4 C A:ALA96 3.9 18.7 1.0 N A:THR97 3.9 14.8 1.0 O A:ALA96 4.1 13.3 1.0 C A:GLY95 4.1 18.8 1.0 OD1 A:ASP124 4.3 20.9 0.4 CA A:THR97 4.4 16.6 1.0 CA A:ALA96 4.4 15.3 1.0 CB A:THR97 4.4 19.4 1.0 CB A:ASP124 4.4 19.6 0.6 CB A:ASP124 4.6 19.9 0.4 N A:ALA96 4.7 14.2 1.0 O A:HOH506 4.8 17.5 1.0 OD2 A:ASP124 4.8 27.4 0.6 CG A:ASP124 4.8 20.9 0.6

Magnesium binding site 3 out of 4 in the Bile Salt Hydrolase From Arthrobacter Citreus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Bile Salt Hydrolase From Arthrobacter Citreus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg411 b:24.8 occ:1.00 C2 A:EDO406 2.3 25.2 1.0 OE1 A:GLU272 2.8 16.8 1.0 C1 A:EDO406 3.0 19.7 1.0 N B:SER210 3.0 7.8 1.0 O1 A:EDO406 3.1 36.3 1.0 O A:HOH682 3.2 10.5 1.0 O2 A:EDO406 3.2 17.2 1.0 OE2 A:GLU272 3.5 22.5 1.0 CD A:GLU272 3.5 19.7 1.0 OG B:SER210 3.5 13.2 1.0 CA B:GLY209 3.6 14.8 1.0 C B:GLY209 3.8 11.1 1.0 SD A:MET266 3.8 38.4 1.0 CB B:SER210 3.9 11.5 1.0 CE A:MET266 4.0 41.9 1.0 CA B:SER210 4.0 9.6 1.0 O A:HOH671 4.2 10.0 1.0 O A:HOH602 4.3 27.1 1.0 O B:HOH683 4.6 31.4 1.0 O B:SER210 4.8 8.6 1.0 N B:GLY209 4.9 10.6 1.0 NH2 A:ARG226 4.9 8.8 1.0 C B:SER210 4.9 7.4 1.0 O A:HOH520 4.9 37.5 1.0 CG A:GLU272 4.9 13.9 1.0

Magnesium binding site 4 out of 4 in the Bile Salt Hydrolase From Arthrobacter Citreus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Bile Salt Hydrolase From Arthrobacter Citreus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:39.0 occ:1.00 O B:HOH716 1.9 42.7 1.0 O B:HOH508 2.1 39.3 1.0 O B:HOH574 2.1 28.8 1.0 O B:HOH740 2.3 42.2 1.0 O B:HOH501 2.8 36.5 1.0 OE1 B:GLU28 3.1 35.1 1.0 OG1 B:THR275 3.5 34.6 1.0 OD1 B:ASP25 3.6 40.6 1.0 OE1 B:GLU293 3.9 19.9 1.0 CD B:GLU28 4.0 39.0 1.0 O B:THR275 4.1 9.1 1.0 OE2 B:GLU28 4.2 32.7 1.0 O B:HOH707 4.3 34.2 1.0 OE2 B:GLU293 4.3 47.7 1.0 CG B:ASP25 4.5 55.0 1.0 CD B:GLU293 4.6 38.8 1.0 CG2 B:THR291 4.6 10.3 1.0 O B:HOH753 4.7 40.1 1.0 CB B:THR275 4.8 15.0 1.0 CB B:THR291 4.8 10.8 1.0 C B:THR275 4.8 8.6 1.0 O B:HOH542 4.8 26.8 1.0 CB B:ASP25 4.9 45.3 1.0 CA B:ASP25 4.9 43.4 1.0 N B:PHE26 5.0 40.0 1.0

A.Ruzzini, P.Dhindwal. Bile Salt Hydrolase From Arthrobacter Citreus To Be Published.