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

Protein crystallography data

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

Manganese Binding Sites:

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 6o5c

Go back to Manganese Binding Sites List in 6o5c
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 6o5c

Go back to Manganese Binding Sites List in 6o5c
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 6o5c

Go back to Manganese Binding Sites List in 6o5c
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 6o5c

Go back to Manganese Binding Sites List in 6o5c
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

Reference:

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
Page generated: Tue Dec 15 04:58:03 2020

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