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Magnesium in PDB 5xnx: Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis

Enzymatic activity of Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis

All present enzymatic activity of Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis:
2.7.6.5; 3.1.7.2;

Protein crystallography data

The structure of Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis, PDB code: 5xnx was solved by B.Singal, A.M.Balakrishna, M.S.S.Manimekalai, W.Nartey, G.Gruber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.02 / 3.70
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 161.710, 161.710, 75.560, 90.00, 90.00, 120.00
R / Rfree (%) 35 / 36.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis (pdb code 5xnx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis, PDB code: 5xnx:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 5xnx

Go back to Magnesium Binding Sites List in 5xnx
Magnesium binding site 1 out of 3 in the Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:53.6
occ:1.00
 OD2 A:ASP145 3.3 91.0 1.0
CB A:ASP81 3.5 0.4 1.0
NE2 A:HIS56 3.5 99.4 1.0
CD2 A:HIS56 3.8 0.5 1.0
NE2 A:HIS80 4.0 0.3 1.0
CD2 A:HIS80 4.2 0.9 1.0
CG A:ASP145 4.2 90.3 1.0
OD1 A:ASP145 4.3 90.8 1.0
CA A:ASP81 4.7 0.9 1.0
CE1 A:HIS56 4.8 98.9 1.0

Magnesium binding site 2 out of 3 in 5xnx

Go back to Magnesium Binding Sites List in 5xnx
Magnesium binding site 2 out of 3 in the Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg401

b:75.0
occ:1.00
 OD2 C:ASP81 2.9 1.0 1.0
OD1 C:ASP145 3.0 97.1 1.0
OD2 C:ASP145 3.2 96.5 1.0
OD1 C:ASP81 3.3 0.1 1.0
CG C:ASP81 3.5 0.7 1.0
CG C:ASP145 3.5 96.2 1.0
NE2 C:HIS56 3.6 0.6 1.0
CD2 C:HIS56 4.1 0.1 1.0
ND2 C:ASN149 4.5 98.1 1.0
CE1 C:HIS56 4.7 0.0 1.0
CB C:ASP145 4.9 94.9 1.0
CB C:ASP81 5.0 0.5 1.0

Magnesium binding site 3 out of 3 in 5xnx

Go back to Magnesium Binding Sites List in 5xnx
Magnesium binding site 3 out of 3 in the Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystallographic Structure of the Enzymatically Active N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg401

b:73.2
occ:1.00
 OD2 D:ASP81 2.5 0.3 1.0
OD1 D:ASP145 3.1 91.7 1.0
NE2 D:HIS56 3.2 99.2 1.0
OD2 D:ASP145 3.2 92.1 1.0
CG D:ASP81 3.5 0.6 1.0
CG D:ASP145 3.5 91.5 1.0
CD2 D:HIS56 3.6 0.3 1.0
OD1 D:ASP81 3.7 0.9 1.0
CE1 D:HIS56 3.9 98.9 1.0
ND2 D:ASN149 4.1 95.3 1.0
CG D:HIS56 4.4 0.7 1.0
ND1 D:HIS56 4.6 99.8 1.0
OD1 D:ASN149 4.8 95.6 1.0
CB D:ASP81 4.9 0.1 1.0
CG D:ASN149 4.9 95.2 1.0

Reference:

B.Singal, A.M.Balakrishna, W.Nartey, M.S.S.Manimekalai, J.Jeyakanthan, G.Gruber. Crystallographic and Solution Structure of the N-Terminal Domain of the Rel Protein From Mycobacterium Tuberculosis Febs Lett. V. 591 2323 2017.
ISSN: ISSN 1873-3468
PubMed: 28672070
DOI: 10.1002/1873-3468.12739
Page generated: Mon Sep 30 09:36:03 2024

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