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Magnesium in PDB 6l3e: Crystal Structure of Salmonella Enterica Sugar-Binding Protein Male

Protein crystallography data

The structure of Crystal Structure of Salmonella Enterica Sugar-Binding Protein Male, PDB code: 6l3e was solved by L.Wang, Y.Chen, W.Liu, J.Lan, F.Shang, Y.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.82 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 87.714, 89.692, 64.066, 90.00, 114.77, 90.00
R / Rfree (%) 16.6 / 18.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Salmonella Enterica Sugar-Binding Protein Male (pdb code 6l3e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Salmonella Enterica Sugar-Binding Protein Male, PDB code: 6l3e:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 6l3e

Go back to Magnesium Binding Sites List in 6l3e
Magnesium binding site 1 out of 3 in the Crystal Structure of Salmonella Enterica Sugar-Binding Protein Male


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 Salmonella Enterica Sugar-Binding Protein Male within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg406

b:63.7
occ:1.00
O A:HOH595 3.4 31.9 1.0
O A:HOH757 3.5 40.6 1.0
O A:LEU76 3.8 28.4 1.0
O A:HOH784 3.9 52.9 1.0
CG2 A:ILE104 4.0 28.8 1.0
O A:HOH700 4.2 44.6 1.0
N A:GLU78 4.5 25.5 1.0
CB A:GLU78 4.8 24.8 1.0
CA A:GLU78 4.9 23.6 1.0
C A:LEU76 4.9 28.0 1.0

Magnesium binding site 2 out of 3 in 6l3e

Go back to Magnesium Binding Sites List in 6l3e
Magnesium binding site 2 out of 3 in the Crystal Structure of Salmonella Enterica Sugar-Binding Protein Male


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 Salmonella Enterica Sugar-Binding Protein Male within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg407

b:54.3
occ:1.00
O A:HOH503 2.2 50.8 1.0
NH1 A:ARG344 3.0 30.5 0.5
OE1 A:GLN152 3.0 29.8 1.0
O1 A:BGC410 3.1 60.3 1.0
C1 A:BGC410 3.6 52.9 1.0
CB A:GLN152 3.7 22.4 1.0
O A:HOH829 3.7 53.2 1.0
O5 A:BGC410 3.8 60.9 1.0
CD A:GLN152 3.8 28.5 1.0
CG A:GLN152 3.9 26.3 1.0
CZ A:ARG344 3.9 34.0 0.5
NH2 A:ARG344 4.0 33.8 0.5
CD1 A:ILE348 4.0 30.6 1.0
NH1 A:ARG344 4.2 38.0 0.5
O A:HOH839 4.6 42.6 1.0
O A:HOH634 4.7 45.2 1.0
CA A:GLN152 4.7 20.1 1.0
C5 A:BGC410 4.8 48.3 1.0
CG1 A:ILE348 5.0 26.6 1.0
O A:GLN152 5.0 24.9 1.0

Magnesium binding site 3 out of 3 in 6l3e

Go back to Magnesium Binding Sites List in 6l3e
Magnesium binding site 3 out of 3 in the Crystal Structure of Salmonella Enterica Sugar-Binding Protein Male


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 Salmonella Enterica Sugar-Binding Protein Male within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg408

b:36.6
occ:1.00
OE1 A:GLU44 2.7 25.2 1.0
CA' A:2ME404 2.7 46.0 1.0
O A:HOH530 2.9 29.4 1.0
N A:LYS42 3.3 28.2 1.0
O A:HOH537 3.3 42.4 1.0
CA A:LYS42 3.4 25.7 1.0
O12 A:MTT409 3.4 28.6 1.0
CD A:GLU44 3.5 25.2 1.0
CH2 A:TRP62 3.6 25.7 1.0
OE2 A:GLU44 3.7 27.0 1.0
CB' A:2ME404 3.8 41.1 1.0
OD1 A:ASN12 3.8 23.9 1.0
OD1 A:ASP41 4.0 31.5 0.7
O A:HOH738 4.1 44.4 1.0
N A:LEU43 4.1 26.1 1.0
C A:LYS42 4.1 25.4 1.0
CZ3 A:TRP62 4.1 21.5 1.0
OC' A:2ME404 4.4 44.6 1.0
C A:ASP41 4.5 31.2 0.7
C A:ASP41 4.5 31.2 0.3
CB A:LYS42 4.6 27.5 1.0
CZ2 A:TRP62 4.6 22.7 1.0
CG A:ASN12 4.8 27.2 1.0
CG A:LYS42 4.8 32.6 1.0
C12 A:MTT409 4.9 27.2 1.0
CG A:GLU44 4.9 23.0 1.0
CA A:ASP41 5.0 31.8 0.7
N A:GLU44 5.0 22.9 1.0
CG A:ASP41 5.0 32.9 0.7

Reference:

L.Wang, Y.Chen, W.Liu, J.Lan, F.Shang, Y.Xu. The Crystal Structure of Salmonella Enterica Sugar-Binding Protein Male To Be Published.
Page generated: Tue Oct 1 10:02:08 2024

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