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Magnesium in PDB 4qy6: Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations

Enzymatic activity of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations

All present enzymatic activity of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations, PDB code: 4qy6 was solved by J.Park, S.Gobeil, J.N.Pelletier, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.84 / 1.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.840, 58.760, 109.940, 90.00, 90.00, 90.00
R / Rfree (%) 10.5 / 13.9

Other elements in 4qy6:

The structure of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations also contains other interesting chemical elements:

Chlorine (Cl) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations (pdb code 4qy6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations, PDB code: 4qy6:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 4qy6

Go back to Magnesium Binding Sites List in 4qy6
Magnesium binding site 1 out of 5 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg307

b:12.9
occ:0.44
 MG A:MG307 0.0 12.9 0.4
MG A:MG307 1.8 21.3 0.6
O A:HOH789 2.1 36.9 1.0
OD1 A:ASP214 2.2 14.7 1.0
O A:HOH790 2.2 40.1 1.0
O A:HOH482 2.3 15.0 1.0
O A:HOH739 2.3 28.1 1.0
O A:HOH818 2.8 36.8 1.0
CG A:ASP214 3.2 10.4 1.0
OD2 A:ASP214 3.5 9.9 1.0
O A:HOH734 4.0 37.4 1.0
CB A:ASP214 4.4 8.8 1.0
NH1 A:ARG222 4.5 16.9 0.5
O A:HOH530 4.5 20.1 1.0
CA A:ASP214 4.7 9.1 1.0

Magnesium binding site 2 out of 5 in 4qy6

Go back to Magnesium Binding Sites List in 4qy6
Magnesium binding site 2 out of 5 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg307

b:21.3
occ:0.56
 MG A:MG307 0.0 21.3 0.6
MG A:MG307 1.8 12.9 0.4
O A:HOH818 2.1 36.8 1.0
OD1 A:ASP214 2.3 14.7 1.0
O A:HOH734 2.4 37.4 1.0
O A:HOH482 2.4 15.0 1.0
O A:HOH790 3.0 40.1 1.0
CG A:ASP214 3.2 10.4 1.0
O A:HOH789 3.3 36.9 1.0
OD2 A:ASP214 3.5 9.9 1.0
O A:HOH739 4.0 28.1 1.0
O A:GLU212 4.3 9.2 0.6
O A:HOH531 4.4 17.8 1.0
O A:HOH598 4.5 30.6 1.0
O A:GLU212 4.5 7.4 0.4
CB A:ASP214 4.5 8.8 1.0
N A:ASP214 4.6 8.1 1.0
CA A:ASP214 4.7 9.1 1.0
NH1 A:ARG222 4.8 16.9 0.5

Magnesium binding site 3 out of 5 in 4qy6

Go back to Magnesium Binding Sites List in 4qy6
Magnesium binding site 3 out of 5 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg308

b:21.0
occ:0.49
 O A:HOH682 1.9 32.7 1.0
O A:HOH860 2.0 52.9 1.0
O A:HOH793 2.4 78.1 1.0
O A:HOH705 4.1 23.5 1.0
O A:GLN39 4.2 15.3 1.0
OE1 A:GLN39 4.4 42.1 1.0
O A:ASP38 4.6 16.2 1.0
CA A:GLN39 4.7 11.7 1.0
NE2 A:GLN39 4.8 47.1 1.0
C A:GLN39 4.8 10.6 1.0
CD A:GLN39 4.9 32.8 1.0

Magnesium binding site 4 out of 5 in 4qy6

Go back to Magnesium Binding Sites List in 4qy6
Magnesium binding site 4 out of 5 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg309

b:10.2
occ:0.37
 O A:HOH795 2.0 32.3 1.0
O A:HOH784 2.0 31.6 1.0
O A:HOH615 2.1 26.4 1.0
O A:HOH578 2.1 25.1 1.0
O A:HOH783 4.2 32.6 1.0
OE2 A:GLU159 4.4 13.3 0.6
O A:HOH647 4.5 25.3 1.0
OE2 A:GLU159 4.6 16.0 0.4
CB A:LYS158 4.7 12.9 1.0
CD A:LYS158 4.7 27.8 1.0
O A:LYS158 5.0 14.3 1.0

Magnesium binding site 5 out of 5 in 4qy6

Go back to Magnesium Binding Sites List in 4qy6
Magnesium binding site 5 out of 5 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg310

b:18.6
occ:0.48
 O A:HOH541 2.1 21.3 1.0
O A:HOH773 2.1 36.3 1.0
O A:HOH585 2.3 23.9 1.0
O A:HOH774 2.4 34.6 1.0
O A:HOH687 2.6 32.8 1.0
OG A:SER98 4.0 17.1 0.5
O A:TYR97 4.1 9.6 1.0
O A:HOH518 4.4 26.8 1.0
CB A:HIS96 4.4 6.9 0.3
O A:HOH491 4.5 19.7 1.0
O A:HOH634 4.6 25.9 1.0
C A:TYR97 4.6 8.6 1.0
CB A:HIS96 4.6 10.2 0.7
N A:TYR97 4.7 6.8 1.0
O A:HOH480 4.7 13.8 1.0
C A:HIS96 4.8 8.5 0.7
C A:HIS96 4.9 7.4 0.3
CA A:TYR97 5.0 7.4 1.0

Reference:

J.Park, S.Gobeil, J.N.Pelletier, A.M.Berghuis. Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations To Be Published.
Page generated: Tue Aug 20 02:34:42 2024

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