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Magnesium in PDB 4qy5: 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: 4qy5 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) 51.40 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.520, 58.210, 109.500, 90.00, 90.00, 90.00
R / Rfree (%) 11 / 16.1

Other elements in 4qy5:

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

Chlorine (Cl) 4 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 4qy5). 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 Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations, PDB code: 4qy5:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4qy5

Go back to Magnesium Binding Sites List in 4qy5
Magnesium binding site 1 out of 4 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:Mg305

b:16.7
occ:0.42
MG A:MG305 0.0 16.7 0.4
MG A:MG305 1.6 22.3 0.6
OD1 A:ASP214 2.1 20.4 1.0
O A:HOH486 2.3 24.4 1.0
CG A:ASP214 3.1 18.2 1.0
O A:HOH643 3.5 42.8 1.0
OD2 A:ASP214 3.5 17.5 1.0
O A:HOH425 4.4 23.8 1.0
CB A:ASP214 4.4 13.3 1.0
O A:HOH582 4.6 30.9 1.0
CA A:ASP214 4.8 10.9 1.0
NH1 A:ARG222 4.9 36.5 1.0

Magnesium binding site 2 out of 4 in 4qy5

Go back to Magnesium Binding Sites List in 4qy5
Magnesium binding site 2 out of 4 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:Mg305

b:22.3
occ:0.58
MG A:MG305 0.0 22.3 0.6
MG A:MG305 1.6 16.7 0.4
O A:HOH643 2.0 42.8 1.0
OD1 A:ASP214 2.2 20.4 1.0
O A:HOH486 2.3 24.4 1.0
CG A:ASP214 3.2 18.2 1.0
OD2 A:ASP214 3.5 17.5 1.0
O A:HOH582 4.1 30.9 1.0
O A:GLU212 4.2 13.7 1.0
CB A:ASP214 4.5 13.3 1.0
O A:HOH596 4.6 29.5 1.0
N A:ASP214 4.7 10.4 1.0
CA A:ASP214 4.8 10.9 1.0

Magnesium binding site 3 out of 4 in 4qy5

Go back to Magnesium Binding Sites List in 4qy5
Magnesium binding site 3 out of 4 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:Mg306

b:34.5
occ:1.00
O A:HOH528 1.8 24.3 1.0
O A:HOH573 2.3 30.8 1.0
O A:HOH710 2.3 38.8 1.0
O A:TYR97 4.0 16.7 1.0
OG A:SER98 4.0 25.1 0.3
O A:HOH490 4.2 27.2 1.0
O A:HOH487 4.5 30.5 1.0
C A:TYR97 4.5 15.1 1.0
CB A:HIS96 4.6 17.9 1.0
N A:TYR97 4.7 10.5 1.0
CA A:TYR97 5.0 12.4 1.0
C A:HIS96 5.0 12.9 1.0

Magnesium binding site 4 out of 4 in 4qy5

Go back to Magnesium Binding Sites List in 4qy5
Magnesium binding site 4 out of 4 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:Mg307

b:34.2
occ:1.00
O A:HOH461 2.0 20.3 1.0
O A:HOH590 2.1 27.4 1.0
O A:HOH599 2.1 31.0 1.0
O A:HOH596 2.2 29.5 1.0
O A:HOH561 3.8 30.6 1.0
OE1 A:GLU212 4.3 36.1 1.0
OD1 A:ASP209 4.4 25.4 1.0
O A:ASP209 4.5 14.2 1.0
CD A:GLU212 4.6 30.2 1.0
CB A:GLU212 4.7 13.8 1.0
CG A:ASP209 4.8 22.0 1.0
CG A:GLU212 4.8 22.1 1.0
O A:HOH643 4.8 42.8 1.0
CA A:ASP209 4.8 15.2 1.0
CB A:ASP209 4.9 17.1 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: Mon Dec 14 19:27:44 2020

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