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Magnesium in PDB 6wqy: GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis

Enzymatic activity of GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis

All present enzymatic activity of GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis:
3.2.1.4;

Protein crystallography data

The structure of GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis, PDB code: 6wqy was solved by C.A.Bingman, R.W.Smith, E.M.Glasgow, B.G.Fox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.24 / 1.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 40.480, 92.310, 95.150, 90.00, 90.00, 90.00
R / Rfree (%) 13.9 / 14.5

Other elements in 6wqy:

The structure of GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis (pdb code 6wqy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis, PDB code: 6wqy:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 6wqy

Go back to Magnesium Binding Sites List in 6wqy
Magnesium binding site 1 out of 4 in the GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:62.5
occ:1.00
 O A:HOH887 1.9 36.5 1.0
O A:HOH838 2.3 43.6 1.0
OD1 A:ASN46 2.9 27.9 1.0
HD21 A:ASN46 3.9 40.6 1.0
CG A:ASN46 4.0 25.8 1.0
ND2 A:ASN46 4.3 33.9 1.0
O A:HOH800 4.8 31.8 1.0
OD1 A:ASN45 4.8 19.6 1.0
HD21 A:ASN45 4.9 32.0 1.0

Magnesium binding site 2 out of 4 in 6wqy

Go back to Magnesium Binding Sites List in 6wqy
Magnesium binding site 2 out of 4 in the GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:55.3
occ:1.00
 O A:HOH585 2.4 44.8 1.0
HG1 A:THR140 3.7 20.1 1.0
OG1 A:THR140 3.7 16.8 1.0
O A:HOH700 4.0 28.5 1.0
HG3 A:GLU139 4.5 17.4 1.0
OE2 A:GLU139 4.6 19.6 1.0
O A:HOH1005 4.7 32.9 1.0
O A:HOH723 4.7 31.7 1.0
O A:HOH814 4.7 34.5 1.0
HG23 A:THR140 4.8 24.6 1.0

Magnesium binding site 3 out of 4 in 6wqy

Go back to Magnesium Binding Sites List in 6wqy
Magnesium binding site 3 out of 4 in the GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:16.7
occ:1.00
 O A:HOH526 2.0 14.8 1.0
O A:HOH782 2.0 15.0 1.0
O A:HOH512 2.0 16.8 1.0
OE1 A:GLU95 2.0 11.4 0.6
O A:HOH936 2.1 17.5 1.0
O A:HOH731 2.2 13.7 1.0
HG3 A:GLU95 2.7 17.7 0.4
CD A:GLU95 3.1 11.3 0.6
HG2 A:GLU95 3.4 17.7 0.4
CG A:GLU95 3.4 14.8 0.4
OE2 A:GLU95 3.4 13.5 0.6
OE2 A:GLU95 3.8 11.9 0.4
CD A:GLU95 4.1 15.0 0.4
O A:HOH1029 4.2 22.2 1.0
HD23 A:LEU98 4.3 18.1 1.0
O A:HOH653 4.3 14.2 1.0
HG23 A:THR92 4.3 15.0 1.0
HB2 A:GLU95 4.4 13.5 0.6
CG A:GLU95 4.4 11.9 0.6
O A:HOH982 4.4 16.8 1.0
O A:ILE93 4.5 11.9 1.0
OE1 A:GLN155 4.5 12.3 1.0
HG2 A:GLU95 4.6 14.3 0.6
HA A:GLU95 4.6 12.8 0.6
CB A:GLU95 4.6 13.8 0.4
HB3 A:GLU95 4.7 16.6 0.4
HA A:GLU95 4.7 15.9 0.4
HG2 A:GLN155 4.8 12.8 1.0
HD22 A:LEU98 4.8 18.1 1.0
CB A:GLU95 4.8 11.3 0.6
CD2 A:LEU98 4.9 15.1 1.0

Magnesium binding site 4 out of 4 in 6wqy

Go back to Magnesium Binding Sites List in 6wqy
Magnesium binding site 4 out of 4 in the GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of GH5-4 Broad Specificity Endoglucanase From Bacteroides Salanitronis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:40.1
occ:1.00
 O A:HOH763 2.0 44.5 1.0
O A:HOH667 2.2 15.5 1.0
OD2 A:ASP131 3.8 16.2 1.0
O A:HOH862 3.9 30.2 1.0
O A:HOH628 4.1 38.0 1.0
HA A:GLN127 4.2 13.9 1.0
OD2 A:ASP134 4.3 15.6 0.6
O A:GLN127 4.3 13.4 1.0
O A:SER126 4.4 11.0 0.3
O A:SER126 4.4 11.6 0.7
CG A:ASP131 4.5 12.7 1.0
O A:HOH967 4.6 23.9 1.0
C A:GLN127 4.7 11.6 1.0
O A:TYR128 4.7 12.7 1.0
HB2 A:ASP131 4.7 15.8 1.0
CA A:GLN127 4.9 11.6 1.0

Reference:

C.A.Bingman, R.W.Smith, C.M.Bianchetti, T.E.Takasuka, B.G.Fox. Structural Perspectives on Multifunctional GH5 Cellulases To Be Published.
Page generated: Tue Oct 1 23:10:23 2024

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