Magnesium in PDB 4azw: Crystal Structure of Monomeric Wbdd.

The structure of Crystal Structure of Monomeric Wbdd., PDB code: 4azw was solved by G.Hagelueken, H.Huang, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.73 / 2.47
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.670, 89.600, 135.460, 90.00, 90.00, 90.00
R / Rfree (%)	19.038 / 23.744

The binding sites of Magnesium atom in the Crystal Structure of Monomeric Wbdd. (pdb code 4azw). 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 Monomeric Wbdd., PDB code: 4azw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Monomeric Wbdd.


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 Monomeric Wbdd. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1452 b:34.4 occ:1.00 O1A A:ATP1450 1.9 31.3 1.0 OD1 A:ASN356 2.0 32.7 1.0 O A:HOH2069 2.0 28.9 1.0 O2G A:ATP1450 2.1 32.3 1.0 OD2 A:ASP369 2.2 30.0 1.0 CG A:ASN356 3.1 31.6 1.0 CG A:ASP369 3.2 32.0 1.0 PA A:ATP1450 3.3 31.7 1.0 PG A:ATP1450 3.3 36.1 1.0 CB A:ASP369 3.5 29.7 1.0 O3B A:ATP1450 3.6 35.5 1.0 ND2 A:ASN356 3.7 29.8 1.0 O3G A:ATP1450 3.9 35.4 1.0 O3A A:ATP1450 4.0 34.7 1.0 O A:TRP355 4.0 30.1 1.0 O2A A:ATP1450 4.1 31.3 1.0 O1B A:ATP1450 4.1 36.5 1.0 PB A:ATP1450 4.1 37.2 1.0 CB A:ASN356 4.3 31.7 1.0 O3' A:ATP1450 4.3 37.3 1.0 MG A:MG1453 4.3 36.9 1.0 O5' A:ATP1450 4.4 31.8 1.0 OD1 A:ASP369 4.4 32.4 1.0 CA A:ASN356 4.5 30.1 1.0 CD1 A:TRP355 4.6 29.6 1.0 O1G A:ATP1450 4.6 36.4 1.0 C A:TRP355 4.7 29.6 1.0 C3' A:ATP1450 4.7 33.5 1.0 C5' A:ATP1450 4.8 31.6 1.0 CE2 A:TYR230 4.8 32.8 1.0 CB A:PRO229 4.8 38.5 1.0 CD2 A:TYR230 4.8 33.8 1.0 CA A:ASP369 4.8 31.5 1.0 N A:ASN356 4.9 29.1 1.0 O A:HOH2055 4.9 29.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Monomeric Wbdd.


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 Monomeric Wbdd. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1453 b:36.9 occ:1.00 O3G A:ATP1450 2.0 35.4 1.0 O1B A:ATP1450 2.1 36.5 1.0 O A:HOH2055 2.2 29.4 1.0 OE2 A:GLU274 2.2 35.4 1.0 OD1 A:ASP369 2.3 32.4 1.0 OD2 A:ASP369 2.4 30.0 1.0 CG A:ASP369 2.6 32.0 1.0 PG A:ATP1450 3.2 36.1 1.0 CD A:GLU274 3.4 37.4 1.0 PB A:ATP1450 3.4 37.2 1.0 O3B A:ATP1450 3.6 35.5 1.0 OG A:SER372 3.8 45.7 1.0 O2G A:ATP1450 4.0 32.3 1.0 OE1 A:GLU274 4.0 37.0 1.0 CB A:ASP369 4.2 29.7 1.0 MG A:MG1452 4.3 34.4 1.0 OD2 A:ASP351 4.3 39.8 1.0 O1G A:ATP1450 4.4 36.4 1.0 O2B A:ATP1450 4.4 32.1 1.0 CG A:GLU274 4.5 39.6 1.0 O3A A:ATP1450 4.5 34.7 1.0 NH1 A:ARG241 4.6 33.5 1.0 O1A A:ATP1450 4.7 31.3 1.0 PA A:ATP1450 4.9 31.7 1.0 CA A:ASP369 5.0 31.5 1.0

G.Hagelueken, H.Huang, B.R.Clarke, T.Lebl, C.Whitfield, J.H.Naismith. Structure of Wbdd; A Bifunctional Kinase and Methyltransferase That Regulates the Chain Length of the O Antigen in Escherichia Coli O9A. Mol.Microbiol. V. 86 730 2012.
ISSN: ISSN 0950-382X
PubMed: 22970759
DOI: 10.1111/MMI.12014