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Magnesium in PDB 2aut: Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium

Enzymatic activity of Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium

All present enzymatic activity of Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium:
3.1.3.2;

Protein crystallography data

The structure of Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium, PDB code: 2aut was solved by R.D.Makde, G.D.Gupta, V.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.737, 84.477, 149.268, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 19.7

Other elements in 2aut:

The structure of Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium also contains other interesting chemical elements:

Sodium (Na) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium (pdb code 2aut). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium, PDB code: 2aut:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2aut

Go back to Magnesium Binding Sites List in 2aut
Magnesium binding site 1 out of 4 in the Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium


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 LYS154ASN Mutant of Mature Apha of S. Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:12.4
occ:1.00
 O A:HOH648 2.1 8.4 1.0
O A:HOH651 2.1 12.6 1.0
OD2 A:ASP46 2.1 16.4 1.0
OD1 A:ASP169 2.1 14.3 1.0
O A:ASP48 2.1 8.7 1.0
O A:HOH738 2.2 12.8 1.0
CG A:ASP46 3.0 15.1 1.0
CG A:ASP169 3.0 13.7 1.0
C A:ASP48 3.3 11.2 1.0
OD2 A:ASP169 3.3 14.4 1.0
OD1 A:ASP46 3.4 11.4 1.0
OG A:SER170 3.9 11.7 1.0
OG1 A:THR50 4.0 13.7 1.0
OD2 A:ASP173 4.0 16.8 1.0
CA A:ASP48 4.1 10.8 1.0
O A:HOH647 4.2 14.0 1.0
O A:HOH708 4.2 27.8 1.0
N A:ASP48 4.2 9.6 1.0
CB A:ASP48 4.2 13.2 1.0
O A:HOH652 4.3 32.1 1.0
CB A:ASP46 4.4 13.3 1.0
N A:ASP49 4.4 9.7 1.0
CB A:ASP169 4.4 9.6 1.0
CB A:ASP49 4.5 10.5 1.0
N A:ASP169 4.6 11.2 1.0
N A:THR50 4.7 11.7 1.0
N A:SER170 4.7 9.9 1.0
CA A:ASP49 4.8 11.3 1.0
CB A:SER170 4.8 10.8 1.0
C A:ASP49 4.8 11.9 1.0
C A:ILE47 4.9 10.5 1.0
CB A:THR50 4.9 13.8 1.0
O A:HOH649 5.0 13.6 1.0
CA A:ASP169 5.0 11.3 1.0

Magnesium binding site 2 out of 4 in 2aut

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Magnesium binding site 2 out of 4 in the Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium


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 LYS154ASN Mutant of Mature Apha of S. Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:9.6
occ:1.00
 O B:HOH737 2.0 12.8 1.0
O B:HOH645 2.1 8.8 1.0
OD1 B:ASP169 2.1 9.9 1.0
O B:ASP48 2.1 8.2 1.0
OD2 B:ASP46 2.1 15.9 1.0
O B:HOH736 2.2 11.1 1.0
CG B:ASP46 3.1 15.6 1.0
CG B:ASP169 3.1 11.9 1.0
C B:ASP48 3.2 11.6 1.0
OD1 B:ASP46 3.5 18.2 1.0
OD2 B:ASP169 3.5 9.5 1.0
O B:HOH708 3.9 51.2 1.0
CA B:ASP48 4.0 12.0 1.0
OG B:SER170 4.0 20.5 1.0
OG1 B:THR50 4.0 12.4 1.0
N B:ASP48 4.1 11.5 1.0
OD2 B:ASP173 4.1 16.1 1.0
CB B:ASP48 4.1 14.2 1.0
O B:HOH643 4.2 12.4 1.0
O B:HOH648 4.3 35.6 1.0
N B:ASP49 4.3 11.3 1.0
CB B:ASP46 4.4 15.3 1.0
CB B:ASP49 4.4 10.9 1.0
CB B:ASP169 4.5 11.7 1.0
N B:ASP169 4.6 13.0 1.0
N B:THR50 4.7 11.2 1.0
CA B:ASP49 4.7 11.8 1.0
C B:ASP49 4.8 11.8 1.0
N B:SER170 4.8 16.0 1.0
C B:ILE47 4.8 12.9 1.0
O B:HOH646 4.9 17.3 1.0
CB B:SER170 4.9 16.9 1.0
CB B:THR50 4.9 12.7 1.0
O B:HOH647 4.9 23.1 1.0

Magnesium binding site 3 out of 4 in 2aut

Go back to Magnesium Binding Sites List in 2aut
Magnesium binding site 3 out of 4 in the Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium


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 LYS154ASN Mutant of Mature Apha of S. Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg603

b:13.0
occ:1.00
 O C:HOH718 2.0 10.5 1.0
OD2 C:ASP46 2.0 19.1 1.0
O C:ASP48 2.1 11.6 1.0
OD1 C:ASP169 2.1 14.7 1.0
O C:HOH643 2.2 14.1 1.0
O C:HOH645 2.2 9.1 1.0
CG C:ASP46 3.0 19.0 1.0
CG C:ASP169 3.2 13.8 1.0
C C:ASP48 3.3 12.2 1.0
OD1 C:ASP46 3.3 20.6 1.0
OD2 C:ASP169 3.6 14.1 1.0
CA C:ASP48 4.0 12.7 1.0
OG1 C:THR50 4.0 14.6 1.0
O C:HOH719 4.0 41.0 1.0
OG C:SER170 4.0 21.2 1.0
N C:ASP48 4.0 11.6 1.0
OD2 C:ASP173 4.1 18.7 1.0
CB C:ASP48 4.1 13.8 1.0
O C:HOH641 4.3 19.1 1.0
O C:HOH644 4.3 30.9 1.0
CB C:ASP46 4.3 17.6 1.0
N C:ASP49 4.4 12.2 1.0
CB C:ASP49 4.5 10.5 1.0
CB C:ASP169 4.5 13.0 1.0
O C:HOH642 4.6 20.1 1.0
N C:THR50 4.7 11.6 1.0
O C:HOH646 4.7 24.3 1.0
N C:ASP169 4.7 13.4 1.0
C C:ILE47 4.7 12.9 1.0
CA C:ASP49 4.8 11.4 1.0
C C:ASP49 4.8 10.7 1.0
N C:ILE47 4.9 15.1 1.0
N C:SER170 4.9 14.2 1.0
CB C:THR50 4.9 13.1 1.0
CB C:SER170 5.0 15.6 1.0

Magnesium binding site 4 out of 4 in 2aut

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Magnesium binding site 4 out of 4 in the Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of LYS154ASN Mutant of Mature Apha of S. Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg604

b:8.2
occ:1.00
 O3 D:PO4606 2.0 18.6 1.0
O D:ASP48 2.1 7.4 1.0
OD2 D:ASP46 2.1 6.7 1.0
O D:HOH746 2.1 5.2 1.0
OD1 D:ASP169 2.2 13.0 1.0
O D:HOH652 2.2 6.9 1.0
CG D:ASP46 3.1 9.6 1.0
CG D:ASP169 3.1 11.7 1.0
C D:ASP48 3.2 9.8 1.0
OD1 D:ASP46 3.4 11.1 1.0
OD2 D:ASP169 3.4 12.8 1.0
P D:PO4606 3.4 22.0 1.0
O D:HOH748 3.8 36.4 1.0
CA D:ASP48 3.9 10.6 1.0
O4 D:PO4606 3.9 20.1 1.0
N D:ASP48 4.0 10.0 1.0
OG D:SER170 4.0 20.7 1.0
OD2 D:ASP173 4.0 13.8 1.0
CB D:ASP48 4.0 10.2 1.0
NA D:NA605 4.1 11.8 1.0
O2 D:PO4606 4.1 19.3 1.0
OG1 D:THR50 4.1 8.7 1.0
O D:HOH653 4.3 8.4 1.0
N D:ASP49 4.4 9.7 1.0
O1 D:PO4606 4.4 21.5 1.0
CB D:ASP46 4.4 10.4 1.0
CB D:ASP169 4.5 9.8 1.0
CB D:ASP49 4.6 10.8 1.0
C D:ILE47 4.7 10.1 1.0
N D:ASP169 4.8 8.7 1.0
N D:THR50 4.8 10.4 1.0
CA D:ASP49 4.8 10.9 1.0
N D:SER170 4.8 9.4 1.0
C D:ASP49 4.9 10.1 1.0
N D:ILE47 4.9 11.2 1.0
CB D:SER170 5.0 13.3 1.0
CG D:ASP173 5.0 13.1 1.0

Reference:

R.D.Makde, G.D.Gupta, S.K.Mahajan, V.Kumar. Structural and Mutational Analyses Reveal the Functional Role of Active-Site Lys-154 and Asp-173 of Salmonella Typhimurium Apha Protein. Arch.Biochem.Biophys. V. 464 70 2007.
ISSN: ISSN 0003-9861
PubMed: 17570338
DOI: 10.1016/J.ABB.2007.03.043
Page generated: Tue Aug 13 21:36:43 2024

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