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Magnesium in PDB 4r4r: Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution

Enzymatic activity of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution, PDB code: 4r4r 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) 31.13 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.690, 58.790, 109.830, 90.00, 90.00, 90.00
R / Rfree (%) 10.5 / 13.8

Other elements in 4r4r:

The structure of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution (pdb code 4r4r). 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 Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution, PDB code: 4r4r:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4r4r

Go back to Magnesium Binding Sites List in 4r4r
Magnesium binding site 1 out of 4 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 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 1.2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:11.6
occ:0.49
 O A:HOH677 2.0 27.5 1.0
O A:HOH477 2.0 17.9 1.0
O A:HOH620 2.1 22.4 1.0
O A:HOH640 2.2 22.3 1.0
O A:HOH616 4.0 21.8 1.0
OE1 A:GLU212 4.1 19.1 0.6
O A:HOH676 4.3 35.0 1.0
CD A:GLU212 4.6 16.6 0.6
O A:ASP209 4.6 8.4 1.0
OD1 A:ASP209 4.6 19.8 1.0
CB A:GLU212 4.7 7.8 0.5
OE2 A:GLU212 4.8 16.7 0.5
CB A:GLU212 4.9 8.4 0.6
CG A:ASP209 4.9 16.9 1.0
CA A:ASP209 5.0 9.8 1.0
CB A:ASP209 5.0 11.9 1.0
CG A:GLU212 5.0 11.7 0.6

Magnesium binding site 2 out of 4 in 4r4r

Go back to Magnesium Binding Sites List in 4r4r
Magnesium binding site 2 out of 4 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 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 1.2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg305

b:12.6
occ:0.50
 MG A:MG305 0.0 12.6 0.5
MG A:MG305 1.7 18.6 0.5
O A:HOH807 2.0 31.2 1.0
O A:HOH806 2.0 30.8 1.0
OD1 A:ASP214 2.2 13.7 1.0
O A:HOH804 2.3 14.2 1.0
O A:HOH805 2.4 27.8 1.0
O A:HOH752 2.7 40.9 1.0
CG A:ASP214 3.2 9.9 1.0
OD2 A:ASP214 3.5 10.2 1.0
O A:HOH676 4.0 35.0 1.0
NH1 A:ARG222 4.4 17.8 0.6
CB A:ASP214 4.4 8.4 1.0
O A:HOH483 4.5 17.0 1.0
CA A:ASP214 4.8 7.6 1.0
O A:HOH630 5.0 28.2 1.0

Magnesium binding site 3 out of 4 in 4r4r

Go back to Magnesium Binding Sites List in 4r4r
Magnesium binding site 3 out of 4 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 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 1.2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg305

b:18.6
occ:0.50
 MG A:MG305 0.0 18.6 0.5
MG A:MG305 1.7 12.6 0.5
O A:HOH752 1.8 40.9 1.0
OD1 A:ASP214 2.3 13.7 1.0
O A:HOH804 2.3 14.2 1.0
O A:HOH676 2.5 35.0 1.0
O A:HOH806 2.9 30.8 1.0
O A:HOH807 3.2 31.2 1.0
CG A:ASP214 3.2 9.9 1.0
OD2 A:ASP214 3.6 10.2 1.0
O A:HOH805 4.0 27.8 1.0
O A:HOH630 4.4 28.2 1.0
O A:GLU212 4.4 8.9 1.0
CB A:ASP214 4.5 8.4 1.0
NH1 A:ARG222 4.6 17.8 0.6
N A:ASP214 4.6 7.1 1.0
O A:HOH620 4.7 22.4 1.0
CA A:ASP214 4.7 7.6 1.0

Magnesium binding site 4 out of 4 in 4r4r

Go back to Magnesium Binding Sites List in 4r4r
Magnesium binding site 4 out of 4 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 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 1.2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg306

b:12.2
occ:0.38
 O A:HOH508 2.1 19.9 1.0
O A:HOH669 2.3 28.9 1.0
O A:HOH656 2.3 30.4 1.0
OG A:SER98 4.0 18.2 0.4
O A:TYR97 4.0 10.4 1.0
O A:HOH509 4.4 20.6 1.0
O A:HOH515 4.5 24.1 1.0
CB A:HIS96 4.5 9.8 0.4
C A:TYR97 4.6 9.1 1.0
CB A:HIS96 4.7 9.3 0.6
N A:TYR97 4.8 7.7 1.0
O A:HOH584 4.8 16.9 1.0
C A:HIS96 4.9 9.3 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: Tue Aug 20 02:50:11 2024

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