Manganese in PDB 6o5c: X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr

The structure of X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr, PDB code: 6o5c was solved by H.Do, M.Kumaraswami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.74 / 3.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.904, 67.904, 293.673, 90.00, 90.00, 90.00
R / Rfree (%)	24.5 / 28.6

The binding sites of Manganese atom in the X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr (pdb code 6o5c). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr, PDB code: 6o5c:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:0.6 occ:1.00 N A:PHE162 3.9 85.1 1.0 NE2 A:HIS95 4.1 0.5 1.0 CD2 A:HIS95 4.1 0.5 1.0 ND1 A:HIS161 4.2 92.0 1.0 CA A:HIS161 4.2 79.8 1.0 CB A:HIS161 4.5 99.2 1.0 CB A:PHE162 4.6 0.5 1.0 C A:HIS161 4.6 85.3 1.0 O A:ASP160 4.6 0.7 1.0 NE2 A:HIS32 4.7 0.4 1.0 CG A:HIS161 4.8 97.3 1.0 CA A:PHE162 4.9 97.7 1.0 OD2 A:ASP163 5.0 0.1 1.0

Manganese binding site 2 out of 4 in the X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:98.3 occ:1.00 OD1 A:ASP160 2.5 0.3 1.0 SG A:CYS123 2.7 49.9 1.0 OE2 A:GLU80 2.8 62.6 1.0 ND1 A:HIS125 3.0 56.4 1.0 CG A:ASP160 3.6 0.2 1.0 CD A:GLU80 3.7 0.5 1.0 NE A:ARG77 3.8 74.5 1.0 CG A:HIS125 3.8 77.7 1.0 OE1 A:GLU80 3.8 0.8 1.0 CE1 A:HIS125 3.8 98.2 1.0 CG A:ARG77 3.9 62.5 1.0 CB A:CYS123 4.0 85.4 1.0 CB A:HIS125 4.0 64.0 1.0 CB A:ASP160 4.1 1.0 1.0 NE2 A:HIS76 4.1 0.1 1.0 N A:ASP160 4.2 0.7 1.0 CD2 A:HIS76 4.3 98.2 1.0 CD A:ARG77 4.4 65.7 1.0 OD2 A:ASP160 4.7 0.9 1.0 CZ A:ARG77 4.7 74.0 1.0 CA A:ASP160 4.8 0.4 1.0 NH1 A:ARG77 4.8 77.5 1.0 NE2 A:HIS125 4.8 0.8 1.0 CD2 A:HIS125 4.8 73.0 1.0 O A:ILE158 5.0 85.1 1.0

Manganese binding site 3 out of 4 in the X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:86.0 occ:1.00 SG B:CYS123 2.0 0.4 1.0 OD2 B:ASP160 2.1 77.2 1.0 ND1 B:HIS125 2.4 0.2 1.0 OE2 B:GLU80 2.4 77.9 1.0 CG B:HIS125 3.0 95.5 1.0 CE1 B:HIS125 3.1 0.1 1.0 CG B:ASP160 3.3 0.8 1.0 CD B:GLU80 3.3 0.6 1.0 CB B:HIS125 3.4 96.7 1.0 CB B:CYS123 3.5 0.7 1.0 OE1 B:GLU80 3.6 0.6 1.0 CD2 B:HIS125 3.9 92.6 1.0 NE2 B:HIS125 3.9 0.2 1.0 CG B:ARG77 4.0 91.2 1.0 OD1 B:ASP160 4.1 0.8 1.0 CB B:ASP160 4.2 0.9 1.0 N B:HIS125 4.2 93.6 1.0 NE B:ARG77 4.4 91.3 1.0 CA B:HIS125 4.4 91.0 1.0 CD B:ARG77 4.5 92.7 1.0 CG B:GLU80 4.7 91.4 1.0 CA B:ASP160 4.7 0.8 1.0 CA B:CYS123 4.8 90.3 1.0 CB B:ARG77 4.8 75.0 1.0 CD2 B:HIS76 4.8 0.6 1.0 NE2 B:HIS76 4.9 0.0 1.0 N B:PRO124 5.0 90.1 1.0 CB B:GLU80 5.0 84.4 1.0 CD B:PRO124 5.0 0.8 1.0

Manganese binding site 4 out of 4 in the X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of X-Ray Crystal Structure of Metal-Dependent Transcriptional Regulator Mtsr within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:0.9 occ:1.00 NE2 B:HIS95 3.4 0.5 1.0 N B:PHE162 3.5 0.5 1.0 CB B:PHE162 3.7 0.7 1.0 CD2 B:HIS95 3.9 0.1 1.0 CA B:HIS161 4.2 98.0 1.0 CA B:PHE162 4.2 1.0 1.0 C B:HIS161 4.3 94.7 1.0 CE1 B:HIS95 4.5 0.2 1.0 O B:ASP160 4.6 0.6 1.0 ND1 B:HIS161 4.7 0.3 1.0 CB B:HIS161 4.8 0.5 1.0

H.Do, N.Makthal, P.Chandrangsu, R.J.Olsen, J.D.Helmann, J.M.Musser, M.Kumaraswami. Metal Sensing and Regulation of Adaptive Responses to Manganese Limitation By Mtsr Is Critical For Group A Streptococcus Virulence. Nucleic Acids Res. V. 47 7476 2019.
ISSN: ESSN 1362-4962
PubMed: 31188450
DOI: 10.1093/NAR/GKZ524