Magnesium in PDB 2a5z: Crystal Structure of Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1

The structure of Crystal Structure of Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1, PDB code: 2a5z was solved by B.Nocek, L.Bigelow, J.Abdullah, F.Collart, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.02
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.590, 53.076, 112.652, 90.00, 95.66, 90.00
R / Rfree (%)	16.7 / 20.3

The binding sites of Magnesium atom in the Crystal Structure of Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1 (pdb code 2a5z). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1, PDB code: 2a5z:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1


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 Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:20.1 occ:1.00 OD1 A:ASP54 2.2 19.5 1.0 O A:GLY89 2.2 19.9 1.0 O A:ASP247 2.2 20.5 1.0 O A:ASP54 2.2 19.9 1.0 O A:PHE88 2.2 20.4 1.0 OD1 A:ASP247 2.2 19.2 1.0 C A:ASP247 3.0 20.5 1.0 C A:ASP54 3.0 19.7 1.0 C A:GLY89 3.1 20.1 1.0 CG A:ASP54 3.2 20.1 1.0 C A:PHE88 3.2 20.7 1.0 CG A:ASP247 3.3 21.3 1.0 CA A:GLY89 3.5 20.4 1.0 CA A:ASP54 3.5 19.8 1.0 CA A:ASP247 3.5 20.5 1.0 CB A:ASP54 3.7 19.6 1.0 N A:GLY89 3.7 20.5 1.0 NH1 B:ARG259 3.8 17.0 1.0 CB A:ASP247 4.0 20.1 1.0 N A:LEU248 4.1 20.4 1.0 N A:PHE55 4.2 19.6 1.0 OD2 A:ASP54 4.2 19.0 1.0 OD2 A:ASP247 4.3 22.2 1.0 N A:VAL90 4.3 20.2 1.0 CA A:PHE88 4.4 20.6 1.0 N A:PHE88 4.4 20.9 1.0 CB A:LEU248 4.4 20.1 1.0 CB A:PHE55 4.4 19.7 1.0 CA A:LEU248 4.5 20.3 1.0 CA A:PHE55 4.6 19.5 1.0 C A:PHE55 4.7 19.7 1.0 O A:PHE55 4.8 19.8 1.0 CA A:VAL90 4.9 20.0 1.0 N A:ASP247 4.9 20.5 1.0 N A:ASP54 4.9 19.9 1.0 C A:HIS87 5.0 21.0 1.0 CD2 A:PHE55 5.0 18.0 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1


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 Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:15.2 occ:1.00 O B:PHE88 2.2 14.8 1.0 OD1 B:ASP247 2.2 14.2 1.0 O B:ASP54 2.2 15.3 1.0 O B:GLY89 2.2 14.4 1.0 OD1 B:ASP54 2.2 13.6 1.0 O B:ASP247 2.2 13.6 1.0 C B:ASP54 3.0 15.0 1.0 C B:ASP247 3.1 13.9 1.0 C B:PHE88 3.1 14.4 1.0 C B:GLY89 3.1 14.1 1.0 CG B:ASP54 3.2 14.6 1.0 CG B:ASP247 3.3 15.2 1.0 CA B:ASP54 3.5 14.5 1.0 CA B:GLY89 3.5 14.1 1.0 CA B:ASP247 3.6 14.2 1.0 CB B:ASP54 3.7 14.3 1.0 N B:GLY89 3.7 14.1 1.0 NH1 C:ARG259 3.7 14.9 1.0 CB B:ASP247 4.0 13.6 1.0 N B:PHE55 4.1 15.2 1.0 N B:LEU248 4.2 14.0 1.0 OD2 B:ASP54 4.2 14.5 1.0 OD2 B:ASP247 4.2 15.3 1.0 N B:PHE88 4.3 15.0 1.0 CA B:PHE88 4.3 14.7 1.0 N B:VAL90 4.4 13.9 1.0 CB B:PHE55 4.4 15.0 1.0 CB B:LEU248 4.4 14.0 1.0 CA B:LEU248 4.5 13.9 1.0 CA B:PHE55 4.6 15.5 1.0 C B:PHE55 4.8 15.6 1.0 O B:PHE55 4.8 15.9 1.0 CA B:VAL90 4.9 14.4 1.0 CB B:PHE88 4.9 14.4 1.0 C B:HIS87 4.9 15.3 1.0 N B:ASP54 4.9 14.5 1.0 N B:ASP247 4.9 13.9 1.0 CZ C:ARG259 4.9 17.5 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1


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 Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg701 b:15.3 occ:1.00 O C:ASP247 2.2 14.8 1.0 O C:PHE88 2.2 15.9 1.0 OD1 C:ASP247 2.2 16.2 1.0 OD1 C:ASP54 2.2 15.7 1.0 O C:ASP54 2.2 15.6 1.0 O C:GLY89 2.2 15.3 1.0 C C:ASP247 3.0 15.5 1.0 C C:ASP54 3.0 15.5 1.0 CG C:ASP54 3.1 15.7 1.0 C C:GLY89 3.2 15.2 1.0 C C:PHE88 3.2 16.5 1.0 CG C:ASP247 3.2 16.5 1.0 CA C:ASP247 3.5 15.3 1.0 CA C:ASP54 3.5 15.7 1.0 CA C:GLY89 3.6 15.3 1.0 CB C:ASP54 3.7 15.4 1.0 N C:GLY89 3.8 15.6 1.0 NH2 A:ARG259 3.8 20.2 1.0 CB C:ASP247 3.9 15.3 1.0 OD2 C:ASP54 4.0 16.7 1.0 N C:PHE55 4.1 15.8 1.0 N C:LEU248 4.2 15.3 1.0 OD2 C:ASP247 4.2 17.1 1.0 CA C:PHE88 4.3 17.0 1.0 N C:PHE88 4.3 18.1 1.0 N C:VAL90 4.4 15.0 1.0 CB C:PHE55 4.4 15.7 1.0 CB C:LEU248 4.5 15.6 1.0 CA C:LEU248 4.5 16.0 1.0 CA C:PHE55 4.6 15.8 1.0 C C:PHE55 4.7 15.9 1.0 O C:PHE55 4.8 16.3 1.0 CA C:VAL90 4.8 15.0 1.0 N C:ASP247 4.9 15.3 1.0 C C:HIS87 4.9 19.1 1.0 CB C:PHE88 4.9 16.6 1.0 N C:ASP54 5.0 15.3 1.0 CZ A:ARG259 5.0 21.9 1.0

B.Nocek, L.Bigelow, J.Abdullah, A.Joachimiak. Structure of SO2946 Orphan From Shewanella Oneidensis Shows "Jelly-Roll" Fold with Carbohydrate-Binding Module. J.Struct.Funct.Genom. V. 9 1 2008.
ISSN: ISSN 1345-711X
PubMed: 18566914
DOI: 10.1007/S10969-008-9040-0