Magnesium in PDB 4r5q: Crystal Structure and Nuclease Activity of the Crispr-Associated CAS4 Protein PCAL_0546 From Pyrobaculum Calidifontis Containing A [2FE-2S] Cluster

The structure of Crystal Structure and Nuclease Activity of the Crispr-Associated CAS4 Protein PCAL_0546 From Pyrobaculum Calidifontis Containing A [2FE-2S] Cluster, PDB code: 4r5q was solved by B.Nocek, T.Skarina, S.Lemak, G.Brown, A.Savchenko, A.Joachimiak, A.Yakunin, 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)	37.26 / 2.65
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	117.836, 117.836, 89.412, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 25.3

The structure of Crystal Structure and Nuclease Activity of the Crispr-Associated CAS4 Protein PCAL_0546 From Pyrobaculum Calidifontis Containing A [2FE-2S] Cluster also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure and Nuclease Activity of the Crispr-Associated CAS4 Protein PCAL_0546 From Pyrobaculum Calidifontis Containing A [2FE-2S] Cluster (pdb code 4r5q). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure and Nuclease Activity of the Crispr-Associated CAS4 Protein PCAL_0546 From Pyrobaculum Calidifontis Containing A [2FE-2S] Cluster, PDB code: 4r5q:

Magnesium binding site 1 out of 1 in the Crystal Structure and Nuclease Activity of the Crispr-Associated CAS4 Protein PCAL_0546 From Pyrobaculum Calidifontis Containing A [2FE-2S] Cluster


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure and Nuclease Activity of the Crispr-Associated CAS4 Protein PCAL_0546 From Pyrobaculum Calidifontis Containing A [2FE-2S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:42.9 occ:0.66 O A:HOH407 2.1 39.8 1.0 OD2 A:ASP123 2.1 33.5 1.0 OE1 A:GLU136 2.1 37.2 1.0 O A:ILE137 2.5 34.2 1.0 H A:ILE137 2.9 41.1 1.0 CD A:GLU136 3.0 37.7 1.0 HD1 A:HIS146 3.0 42.9 1.0 CG A:ASP123 3.1 33.5 1.0 HE1 A:HIS146 3.3 42.5 1.0 N A:ILE137 3.4 34.3 1.0 HB A:ILE137 3.4 40.2 1.0 C A:ILE137 3.4 34.5 1.0 HG3 A:GLU136 3.5 45.9 1.0 OD1 A:ASP123 3.5 33.8 1.0 ND1 A:HIS146 3.6 35.8 1.0 HG2 A:PRO55 3.6 36.8 1.0 OE2 A:GLU136 3.7 37.9 1.0 CE1 A:HIS146 3.7 35.4 1.0 HD2 A:HIS94 3.8 28.8 1.0 CA A:ILE137 3.8 34.2 1.0 CG A:GLU136 3.8 38.3 1.0 HA A:GLU136 4.0 45.2 1.0 CB A:ILE137 4.1 33.5 1.0 C A:GLU136 4.2 37.3 1.0 CD2 A:HIS94 4.3 24.0 1.0 NE2 A:HIS94 4.3 24.3 1.0 CB A:ASP123 4.5 33.5 1.0 CG A:PRO55 4.5 30.7 1.0 HG2 A:GLU136 4.5 45.9 1.0 CA A:GLU136 4.5 37.7 1.0 HG3 A:PRO55 4.5 36.8 1.0 HA A:LYS138 4.6 43.2 1.0 N A:LYS138 4.6 35.3 1.0 HB2 A:ASP123 4.6 40.2 1.0 HG1 A:THR139 4.6 59.7 1.0 H A:THR139 4.7 61.4 1.0 OG1 A:THR139 4.7 49.8 1.0 HB3 A:ASP123 4.7 40.2 1.0 HA A:ILE137 4.7 41.0 1.0 CB A:GLU136 4.8 38.6 1.0 HG22 A:ILE137 4.8 40.5 1.0 CG A:HIS146 4.8 36.7 1.0 HG13 A:ILE137 4.9 40.0 1.0 NE2 A:HIS146 5.0 36.1 1.0

B.Nocek, T.Skarina, S.Lemak, G.Brown, A.Savchenko, A.Joachimiak, A.Yakunin. Crystal Structure and Nuclease Activity of the Crispr-Associated CAS4 Protein PCAL_0546 From Pyrobaculum Calidifontis Containing A [2FE-2S] Cluster To Be Published.