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Magnesium in PDB 4w89: Crystal Structure of XEG5A, A GH5 Xyloglucan-Specific Endo-Beta-1,4- Glucanase From Metagenomic Library, in Complex with Cellotriose

Enzymatic activity of Crystal Structure of XEG5A, A GH5 Xyloglucan-Specific Endo-Beta-1,4- Glucanase From Metagenomic Library, in Complex with Cellotriose

All present enzymatic activity of Crystal Structure of XEG5A, A GH5 Xyloglucan-Specific Endo-Beta-1,4- Glucanase From Metagenomic Library, in Complex with Cellotriose:
3.2.1.151;

Protein crystallography data

The structure of Crystal Structure of XEG5A, A GH5 Xyloglucan-Specific Endo-Beta-1,4- Glucanase From Metagenomic Library, in Complex with Cellotriose, PDB code: 4w89 was solved by C.R.Santos, R.L.Cordeiro, D.W.S.Wong, M.T.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.20 / 2.40
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 96.704, 96.704, 95.719, 90.00, 90.00, 120.00
R / Rfree (%) 22 / 25.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of XEG5A, A GH5 Xyloglucan-Specific Endo-Beta-1,4- Glucanase From Metagenomic Library, in Complex with Cellotriose (pdb code 4w89). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of XEG5A, A GH5 Xyloglucan-Specific Endo-Beta-1,4- Glucanase From Metagenomic Library, in Complex with Cellotriose, PDB code: 4w89:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4w89

Go back to Magnesium Binding Sites List in 4w89
Magnesium binding site 1 out of 2 in the Crystal Structure of XEG5A, A GH5 Xyloglucan-Specific Endo-Beta-1,4- Glucanase From Metagenomic Library, in Complex with Cellotriose


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 XEG5A, A GH5 Xyloglucan-Specific Endo-Beta-1,4- Glucanase From Metagenomic Library, in Complex with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:48.2
occ:1.00
 O A:HOH618 2.0 40.3 1.0
O A:HOH617 2.0 55.4 1.0
O B:HOH625 2.0 30.7 1.0
O B:HOH626 2.4 37.4 1.0
O A:HOH602 2.5 50.1 1.0
O A:HOH619 2.5 40.8 1.0
OD1 A:ASN278 3.3 39.7 1.0
OD1 B:ASP270 4.1 39.2 1.0
CG A:ASN278 4.4 39.2 1.0
OD1 A:ASP281 4.4 37.2 1.0
CA A:ASN278 4.4 37.1 1.0
O A:GLY277 4.5 34.1 1.0
OD2 A:ASP281 4.5 40.0 1.0
OD2 B:ASP270 4.6 40.3 1.0
CG B:ASP270 4.8 39.2 1.0
O B:HOH648 4.8 35.0 1.0
CG A:ASP281 4.9 37.2 1.0
C A:GLY277 4.9 34.9 1.0
CB A:ASN278 4.9 38.7 1.0
N A:ASN278 4.9 36.4 1.0

Magnesium binding site 2 out of 2 in 4w89

Go back to Magnesium Binding Sites List in 4w89
Magnesium binding site 2 out of 2 in the Crystal Structure of XEG5A, A GH5 Xyloglucan-Specific Endo-Beta-1,4- Glucanase From Metagenomic Library, in Complex with Cellotriose


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 XEG5A, A GH5 Xyloglucan-Specific Endo-Beta-1,4- Glucanase From Metagenomic Library, in Complex with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:55.6
occ:1.00
 O B:HOH607 1.8 33.8 1.0
O B:HOH628 2.0 50.5 1.0
O A:HOH620 2.0 37.6 1.0
O B:HOH627 2.2 55.1 1.0
O A:HOH621 2.3 33.8 1.0
O B:HOH606 2.9 59.6 1.0
OD1 B:ASN278 3.5 40.5 1.0
OD1 A:ASP270 3.8 37.7 1.0
O B:GLY277 4.2 36.9 1.0
OD1 B:ASP281 4.3 38.7 1.0
CA B:ASN278 4.4 37.1 1.0
OD2 B:ASP281 4.4 40.7 1.0
CG B:ASN278 4.5 39.2 1.0
OD2 A:ASP270 4.5 38.4 1.0
CG A:ASP270 4.6 38.2 1.0
C B:GLY277 4.7 36.3 1.0
CG B:ASP281 4.8 38.8 1.0
N B:ASN278 4.8 36.5 1.0
CB B:ASN278 5.0 38.5 1.0

Reference:

C.R.Santos, R.L.Cordeiro, D.W.Wong, M.T.Murakami. Structural Basis For Xyloglucan Specificity and Alpha-D-Xylp(16)-D-Glcp Recognition at the -1 Subsite Within the GH5 Family. Biochemistry 2015.
ISSN: ISSN 0006-2960
PubMed: 25714929
DOI: 10.1021/ACS.BIOCHEM.5B00011
Page generated: Tue Aug 20 13:08:31 2024

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