Magnesium in PDB 3ibs: Crystal Structure of Conserved Hypothetical Protein Batb From Bacteroides Thetaiotaomicron

The structure of Crystal Structure of Conserved Hypothetical Protein Batb From Bacteroides Thetaiotaomicron, PDB code: 3ibs was solved by J.Hattne, J.Bearden, D.Borek, C.Nakka, A.Sather, A.Joachimiak, Z.Otwinowski, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.54 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.299, 68.561, 106.568, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.9

The structure of Crystal Structure of Conserved Hypothetical Protein Batb From Bacteroides Thetaiotaomicron also contains other interesting chemical elements:

Chlorine

(Cl)

9 atoms

The binding sites of Magnesium atom in the Crystal Structure of Conserved Hypothetical Protein Batb From Bacteroides Thetaiotaomicron (pdb code 3ibs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Conserved Hypothetical Protein Batb From Bacteroides Thetaiotaomicron, PDB code: 3ibs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Conserved Hypothetical Protein Batb From Bacteroides Thetaiotaomicron


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 Conserved Hypothetical Protein Batb From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg219 b:24.6 occ:1.00 O A:HOH220 2.0 9.2 1.0 O A:HOH225 2.1 12.4 1.0 O A:HOH222 2.1 11.1 1.0 OG A:SER17 2.1 12.6 1.0 O A:HOH221 2.1 8.7 1.0 OG A:SER15 2.2 13.3 1.0 CB A:SER17 3.1 12.9 1.0 CB A:SER15 3.2 12.6 1.0 N A:SER17 3.9 13.4 1.0 O A:HOH234 4.0 15.0 1.0 OG1 A:THR86 4.0 15.6 1.0 OD2 A:ASP114 4.1 13.7 1.0 OD1 A:ASP114 4.1 14.1 1.0 O A:HOH269 4.1 23.4 1.0 CA A:SER17 4.1 13.3 1.0 OD1 A:ASP13 4.3 9.6 1.0 OD2 A:ASP13 4.3 11.4 1.0 CA A:SER15 4.4 12.7 1.0 C A:SER15 4.5 13.2 1.0 O A:HOH230 4.5 14.2 1.0 CG A:ASP114 4.5 14.5 1.0 OE1 A:GLU116 4.5 14.6 1.0 N A:ASN16 4.7 12.8 1.0 O A:GLY85 4.7 17.4 1.0 CG A:ASP13 4.7 11.6 1.0 O A:GLU116 4.8 15.9 1.0 O A:SER15 4.9 12.4 1.0 C A:SER17 4.9 13.1 1.0 N A:MSE18 5.0 12.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Conserved Hypothetical Protein Batb From Bacteroides Thetaiotaomicron


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 Conserved Hypothetical Protein Batb From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg219 b:31.4 occ:1.00 O B:HOH223 2.0 13.9 1.0 OG B:SER17 2.0 14.8 1.0 O B:HOH228 2.1 15.4 1.0 O B:HOH234 2.1 17.7 1.0 O B:HOH225 2.2 14.4 1.0 OG B:SER15 2.2 15.1 1.0 CB B:SER17 3.1 15.1 1.0 CB B:SER15 3.2 15.0 1.0 N B:SER17 3.9 14.9 1.0 OD2 B:ASP114 4.0 22.0 1.0 OD1 B:ASP114 4.0 20.7 1.0 CA B:SER17 4.1 14.8 1.0 OG1 B:THR86 4.1 18.3 1.0 O B:HOH235 4.2 21.4 1.0 O B:HOH238 4.2 16.6 1.0 OD1 B:ASP13 4.3 14.7 1.0 OD2 B:ASP13 4.4 16.2 1.0 CA B:SER15 4.4 15.1 1.0 CG B:ASP114 4.4 23.7 1.0 OE1 B:GLU116 4.4 24.4 1.0 O B:HOH222 4.5 12.2 1.0 C B:SER15 4.5 15.0 1.0 N B:ASN16 4.7 15.9 1.0 O B:GLY85 4.8 20.6 1.0 CG B:ASP13 4.8 15.7 1.0 O B:GLU116 4.8 24.1 1.0 O B:SER15 4.9 14.4 1.0 C B:SER17 4.9 15.1 1.0 N B:MSE18 5.0 15.0 1.0

J.Hattne, J.Bearden, D.Borek, C.Nakka, A.Sather, A.Joachimiak, Z.Otwinowski. Crystal Structure of Conserved Hypothetical Protein Batb From Bacteroides Thetaiotaomicron To Be Published.