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Magnesium in PDB 4r4s: Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution

Enzymatic activity of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution, PDB code: 4r4s 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) 51.77 / 1.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.710, 58.710, 109.770, 90.00, 90.00, 90.00
R / Rfree (%) 10.4 / 12.8

Other elements in 4r4s:

The structure of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution (pdb code 4r4s). 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 Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution, PDB code: 4r4s:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 4r4s

Go back to Magnesium Binding Sites List in 4r4s
Magnesium binding site 1 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution


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 Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg306

b:32.4
occ:0.64
 O A:HOH656 2.0 33.7 1.0
O A:HOH808 2.1 51.7 1.0
O A:HOH809 2.2 79.4 1.0
O A:HOH807 2.4 86.1 1.0
O A:HOH673 4.0 25.3 1.0
O A:GLN39 4.1 14.8 1.0
OE1 A:GLN39 4.4 57.2 1.0
O A:ASP38 4.5 12.2 0.6
CA A:GLN39 4.6 11.5 1.0
C A:GLN39 4.8 10.3 1.0
O A:ASP38 4.9 14.6 0.4
CD A:GLN39 4.9 46.7 1.0
NE2 A:GLN39 4.9 58.6 1.0

Magnesium binding site 2 out of 5 in 4r4s

Go back to Magnesium Binding Sites List in 4r4s
Magnesium binding site 2 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution


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 Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg307

b:11.9
occ:0.50
 MG A:MG307 0.0 11.9 0.5
MG A:MG307 1.7 18.7 0.5
O A:HOH863 2.0 29.1 1.0
OD1 A:ASP214 2.2 13.0 1.0
O A:HOH660 2.2 37.4 1.0
O A:HOH861 2.3 13.8 1.0
O A:HOH862 2.4 24.4 1.0
O A:HOH611 2.7 31.6 1.0
CG A:ASP214 3.2 8.7 1.0
OD2 A:ASP214 3.5 8.7 1.0
O A:HOH630 4.0 34.5 1.0
NH1 A:ARG222 4.4 9.6 0.3
CB A:ASP214 4.4 7.2 1.0
O A:HOH476 4.5 17.1 1.0
O A:HOH864 4.6 35.9 1.0
CA A:ASP214 4.8 7.1 1.0
O A:HOH667 5.0 30.3 1.0

Magnesium binding site 3 out of 5 in 4r4s

Go back to Magnesium Binding Sites List in 4r4s
Magnesium binding site 3 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution


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 Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg307

b:18.7
occ:0.50
 MG A:MG307 0.0 18.7 0.5
MG A:MG307 1.7 11.9 0.5
O A:HOH611 1.9 31.6 1.0
OD1 A:ASP214 2.3 13.0 1.0
O A:HOH861 2.4 13.8 1.0
O A:HOH630 2.5 34.5 1.0
O A:HOH863 2.8 29.1 1.0
O A:HOH660 3.2 37.4 1.0
CG A:ASP214 3.3 8.7 1.0
OD2 A:ASP214 3.6 8.7 1.0
O A:HOH862 3.9 24.4 1.0
O A:HOH667 4.3 30.3 1.0
O A:GLU212 4.3 7.8 0.4
O A:GLU212 4.3 7.6 0.6
CB A:ASP214 4.5 7.2 1.0
NH1 A:ARG222 4.6 9.6 0.3
N A:ASP214 4.6 6.8 1.0
O A:HOH616 4.7 21.9 1.0
CA A:ASP214 4.7 7.1 1.0
O A:HOH864 4.8 35.9 1.0

Magnesium binding site 4 out of 5 in 4r4s

Go back to Magnesium Binding Sites List in 4r4s
Magnesium binding site 4 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution


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 Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg308

b:7.2
occ:0.33
 O A:HOH704 2.0 32.0 1.0
O A:HOH534 2.1 12.7 0.6
O A:HOH617 4.0 21.0 1.0
O A:HOH711 4.2 12.6 0.5
OE2 A:GLU159 4.3 10.9 0.6
O A:HOH605 4.5 23.3 1.0
OE2 A:GLU159 4.6 16.5 0.4
CD A:LYS158 4.6 24.7 1.0
CB A:LYS158 4.6 11.8 1.0
O A:HOH484 4.8 17.4 1.0
O A:LYS158 4.9 12.7 1.0

Magnesium binding site 5 out of 5 in 4r4s

Go back to Magnesium Binding Sites List in 4r4s
Magnesium binding site 5 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg309

b:13.1
occ:0.35
 O A:HOH703 2.0 31.0 1.0
O A:HOH520 2.1 19.8 1.0
O A:HOH591 2.4 26.4 1.0
O A:HOH639 2.5 34.8 1.0
OG A:SER98 4.0 16.0 0.5
O A:TYR97 4.1 9.6 1.0
O A:HOH597 4.4 28.0 1.0
O A:HOH505 4.4 17.2 1.0
CB A:HIS96 4.5 8.6 0.4
C A:TYR97 4.6 8.0 1.0
CB A:HIS96 4.7 9.7 0.6
N A:TYR97 4.8 7.2 1.0
O A:HOH481 4.8 13.4 1.0
C A:HIS96 4.9 8.5 0.6
O A:HOH822 4.9 36.1 1.0
C A:HIS96 4.9 8.5 0.4

Reference:

J.Park, S.Gobeil, J.N.Pelletier, A.M.Berghuis. Crystal Structures of Chimeric Beta-Lactamase Ctem-19M To Be Published.
Page generated: Mon Dec 14 19:29:40 2020

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