Magnesium in PDB 3ikc: Structure of S67-27 in Complex with Kdo(2.8)-7-O-Methyl-Kdo

The structure of Structure of S67-27 in Complex with Kdo(2.8)-7-O-Methyl-Kdo, PDB code: 3ikc 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)	19.96 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.240, 127.590, 155.510, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 29.1

The binding sites of Magnesium atom in the Structure of S67-27 in Complex with Kdo(2.8)-7-O-Methyl-Kdo (pdb code 3ikc). 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)-7-O-Methyl-Kdo, PDB code: 3ikc:
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)-7-O-Methyl-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)-7-O-Methyl-Kdo within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg215 b:28.9 occ:1.00 OE2 B:GLU58 2.6 22.5 1.0 NH1 B:ARG52 3.3 26.8 1.0 CD B:GLU58 3.8 25.9 1.0 CB B:THR56 4.0 30.3 1.0 OG1 B:THR56 4.1 25.2 1.0 CZ B:ARG52 4.3 25.2 1.0 CG2 B:THR56 4.4 28.8 1.0 OE1 B:GLU58 4.4 26.8 1.0 NH2 B:ARG52 4.5 26.1 1.0 O B:THR57 4.6 27.7 1.0 O B:HOH247 4.6 38.1 1.0 O B:HOH220 4.6 24.4 1.0 CG B:GLU58 4.8 27.9 1.0

Magnesium binding site 2 out of 2 in the Structure of S67-27 in Complex with Kdo(2.8)-7-O-Methyl-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)-7-O-Methyl-Kdo within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg215 b:27.7 occ:1.00 O D:HOH259 2.8 31.4 1.0 OE2 D:GLU58 2.9 30.6 1.0 NH1 D:ARG52 3.3 28.0 1.0 O D:HOH274 3.7 40.9 1.0 CZ D:ARG52 3.9 28.6 1.0 NH2 D:ARG52 4.0 27.4 1.0 CD D:GLU58 4.1 31.4 1.0 OG1 D:THR56 4.1 27.1 1.0 CB D:THR56 4.2 26.1 1.0 CG2 D:THR56 4.7 29.8 1.0 OE1 D:GLU58 4.8 22.6 1.0 O D:THR57 4.8 33.0 1.0 NE D:ARG52 4.8 25.8 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