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Magnesium in PDB 8jk9: SP1746 in Complex with Gdp

Enzymatic activity of SP1746 in Complex with Gdp

All present enzymatic activity of SP1746 in Complex with Gdp:
3.6.1.41;

Protein crystallography data

The structure of SP1746 in Complex with Gdp, PDB code: 8jk9 was solved by Y.Jin, J.Ke, L.Niu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.63 / 1.60
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 69.302, 69.302, 88.561, 90, 90, 120
R / Rfree (%) 18.1 / 21.1

Other elements in 8jk9:

The structure of SP1746 in Complex with Gdp also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the SP1746 in Complex with Gdp (pdb code 8jk9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the SP1746 in Complex with Gdp, PDB code: 8jk9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 8jk9

Go back to Magnesium Binding Sites List in 8jk9
Magnesium binding site 1 out of 2 in the SP1746 in Complex with Gdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of SP1746 in Complex with Gdp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg306

b:26.5
occ:1.00
OG1 A:THR118 2.7 16.1 1.0
N A:GLY92 2.8 17.4 1.0
MG A:MG307 2.8 26.9 1.0
O A:ASN88 2.9 17.8 1.0
O A:VAL89 2.9 17.8 1.0
CA A:GLY92 3.3 17.9 1.0
CB A:THR118 3.3 16.1 1.0
C A:VAL89 3.6 18.2 1.0
ND1 A:HIS91 3.6 17.6 1.0
CE1 A:HIS91 3.7 17.6 1.0
N A:MET93 3.7 18.2 1.0
N A:HIS91 3.9 17.9 1.0
C A:ASN88 4.0 17.9 1.0
C A:HIS91 4.0 17.5 1.0
C A:GLY92 4.0 18.2 1.0
CA A:VAL89 4.0 17.9 1.0
CG A:HIS91 4.1 17.3 1.0
CG2 A:THR118 4.2 16.5 1.0
CE1 A:HIS117 4.2 15.7 1.0
NE2 A:HIS91 4.3 17.3 1.0
C A:TRP90 4.3 18.6 1.0
CA A:HIS91 4.4 17.6 1.0
N A:TRP90 4.4 18.4 1.0
N A:VAL89 4.5 17.7 1.0
N A:THR118 4.5 16.0 1.0
CG A:MET93 4.5 20.9 1.0
CA A:THR118 4.5 16.3 1.0
CD2 A:HIS91 4.5 17.4 1.0
O A:GLU115 4.6 17.6 1.0
ND1 A:HIS117 4.7 16.1 1.0
NE2 A:HIS117 4.7 15.7 1.0
O A:ASN87 4.8 18.3 1.0
O A:TRP90 4.8 19.5 1.0
CB A:HIS91 4.9 17.3 1.0
CA A:TRP90 4.9 18.7 1.0
CA A:MET93 4.9 18.7 1.0
CB A:MET93 5.0 20.2 1.0

Magnesium binding site 2 out of 2 in 8jk9

Go back to Magnesium Binding Sites List in 8jk9
Magnesium binding site 2 out of 2 in the SP1746 in Complex with Gdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of SP1746 in Complex with Gdp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg307

b:26.9
occ:1.00
O A:GLU115 2.7 17.6 1.0
MG A:MG306 2.8 26.5 1.0
N A:THR118 3.0 16.0 1.0
CB A:THR118 3.3 16.1 1.0
C A:ILE116 3.4 16.4 1.0
N A:HIS117 3.5 16.2 1.0
OG1 A:THR118 3.5 16.1 1.0
CA A:ILE116 3.5 16.5 1.0
N A:VAL119 3.6 16.5 1.0
CA A:THR118 3.6 16.3 1.0
C A:GLU115 3.6 17.4 1.0
CG A:MET93 3.7 20.9 1.0
CG2 A:VAL119 3.9 17.9 1.0
N A:ILE116 4.0 16.8 1.0
O A:ILE116 4.0 16.6 1.0
N A:MET93 4.0 18.2 1.0
C A:HIS117 4.1 16.4 1.0
CA A:GLY92 4.1 17.9 1.0
C A:THR118 4.1 16.6 1.0
SD A:MET93 4.3 23.9 1.0
CA A:HIS117 4.3 15.8 1.0
C A:GLY92 4.4 18.2 1.0
O A:VAL89 4.4 17.8 1.0
O A:ILE114 4.5 17.7 1.0
ND1 A:HIS117 4.5 16.1 1.0
CG1 A:VAL119 4.5 17.7 1.0
CB A:VAL119 4.5 17.3 1.0
CG2 A:THR118 4.6 16.5 1.0
CA A:VAL119 4.6 17.3 1.0
N A:GLY92 4.7 17.4 1.0
CA A:MET93 4.8 18.7 1.0
CG A:HIS117 4.8 15.9 1.0
CB A:MET93 4.8 20.2 1.0
CE1 A:HIS117 4.8 15.7 1.0
CB A:ILE116 4.9 16.9 1.0
CA A:GLU115 5.0 17.1 1.0

Reference:

Y.Jin, J.Ke, L.Niu. Structural and Biochemical Characterization of A Novel Hydrolase From Streptococcus Pneumoniae To Be Published.
Page generated: Fri Oct 4 13:11:34 2024

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