Magnesium in PDB 3ijy: Structure of S67-27 in Complex with Kdo(2.8)Kdo

The structure of Structure of S67-27 in Complex with Kdo(2.8)Kdo, PDB code: 3ijy was solved by C.L.Brooks, R.J.Blackler, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 2.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.910, 128.540, 155.410, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 28.4

The binding sites of Magnesium atom in the Structure of S67-27 in Complex with Kdo(2.8)Kdo (pdb code 3ijy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of S67-27 in Complex with Kdo(2.8)Kdo, PDB code: 3ijy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of S67-27 in Complex with Kdo(2.8)Kdo


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of S67-27 in Complex with Kdo(2.8)Kdo within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg214 b:43.2 occ:1.00 OE2 B:GLU58 2.8 39.3 1.0 NH1 B:ARG52 3.4 34.5 1.0 CD B:GLU58 3.7 43.0 1.0 NH2 B:ARG52 3.9 31.7 1.0 CZ B:ARG52 3.9 33.9 1.0 OG1 B:THR56 4.3 28.6 1.0 OE1 B:GLU58 4.4 43.5 1.0 CG B:GLU58 4.5 35.6 1.0 CB B:THR56 4.6 33.6 1.0

Magnesium binding site 2 out of 2 in the Structure of S67-27 in Complex with Kdo(2.8)Kdo


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of S67-27 in Complex with Kdo(2.8)Kdo within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg214 b:35.9 occ:1.00 OE2 D:GLU58 2.8 40.4 1.0 NH1 D:ARG52 3.4 34.9 1.0 NH2 D:ARG52 3.4 29.0 1.0 CZ D:ARG52 3.6 32.8 1.0 CD D:GLU58 4.1 35.6 1.0 OG1 D:THR56 4.2 31.9 1.0 NE D:ARG52 4.5 33.3 1.0 CB D:THR56 4.5 31.9 1.0 CG D:GLU58 4.9 36.6 1.0 OE1 D:GLU58 4.9 32.2 1.0 CG2 D:THR56 5.0 39.6 1.0

C.L.Brooks, R.J.Blackler, G.Sixta, P.Kosma, S.Muller-Loennies, L.Brade, T.Hirama, C.R.Mackenzie, H.Brade, S.V.Evans. The Role of Cdr H3 in Antibody Recognition of A Synthetic Analog of A Lipopolysaccharide Antigen. Glycobiology V. 20 138 2010.
ISSN: ISSN 0959-6658
PubMed: 19767317
DOI: 10.1093/GLYCOB/CWP150