Magnesium in PDB 3fxi: Crystal Structure of the Human TLR4-Human Md-2-E.Coli Lps Ra Complex

The structure of Crystal Structure of the Human TLR4-Human Md-2-E.Coli Lps Ra Complex, PDB code: 3fxi was solved by B.S.Park, D.H.Song, H.M.Kim, J.-O.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.87 / 3.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	91.160, 103.500, 251.810, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 28.1

The binding sites of Magnesium atom in the Crystal Structure of the Human TLR4-Human Md-2-E.Coli Lps Ra Complex (pdb code 3fxi). 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 the Human TLR4-Human Md-2-E.Coli Lps Ra Complex, PDB code: 3fxi:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Human TLR4-Human Md-2-E.Coli Lps Ra Complex


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 the Human TLR4-Human Md-2-E.Coli Lps Ra Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2001 b:72.7 occ:1.00 O A:HOH1 2.9 41.2 1.0 OD2 A:ASP294 3.0 69.2 1.0 OD1 A:ASP294 3.5 67.3 1.0 O4 A:PO41010 3.6 66.1 1.0 CG A:ASP294 3.6 66.3 1.0 O4 A:GMH1016 3.8 0.2 1.0 O2 A:PO41010 3.9 67.5 1.0 P A:PO41010 4.4 68.5 1.0 O3 A:GMH1016 4.5 0.6 1.0 O1B A:KDO1012 4.5 95.5 1.0 OH A:TYR292 4.5 54.8 1.0 C3 A:GMH1016 4.8 0.5 1.0 C4 A:GMH1016 4.9 0.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Human TLR4-Human Md-2-E.Coli Lps Ra Complex


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 the Human TLR4-Human Md-2-E.Coli Lps Ra Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:83.2 occ:1.00 OD2 B:ASP294 3.0 64.4 1.0 O B:HOH2 3.1 48.1 1.0 O4 B:PO41010 3.5 69.5 1.0 OD1 B:ASP294 3.5 62.8 1.0 CG B:ASP294 3.6 62.8 1.0 O4 B:GMH1016 3.8 0.3 1.0 O2 B:PO41010 3.8 69.3 1.0 P B:PO41010 4.3 73.0 1.0 O1A B:KDO1012 4.4 97.7 1.0 OH B:TYR292 4.5 56.4 1.0 O3 B:GMH1016 4.5 0.1 1.0 C3 B:GMH1016 4.8 0.1 1.0 C4 B:GMH1016 4.9 1.0 1.0

B.S.Park, D.H.Song, H.M.Kim, B.-S.Choi, H.Lee, J.-O.Lee. The Structural Basis of Lipopolysaccharide Recognition By the TLR4-Md-2 Complex Nature V. 458 1191 2009.
ISSN: ISSN 0028-0836
PubMed: 19252480
DOI: 10.1038/NATURE07830