Magnesium in PDB 3t4y: S25-2- Kdo Monosaccharide Complex

The structure of S25-2- Kdo Monosaccharide Complex, PDB code: 3t4y was solved by H.P.Nguyen, N.O.Seto, C.R.Mackenzie, L.Brade, P.Kosma, H.Brade, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.45 / 1.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.800, 81.400, 132.400, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 22.5

The structure of S25-2- Kdo Monosaccharide Complex also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the S25-2- Kdo Monosaccharide Complex (pdb code 3t4y). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the S25-2- Kdo Monosaccharide Complex, PDB code: 3t4y:

Magnesium binding site 1 out of 1 in the S25-2- Kdo Monosaccharide Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of S25-2- Kdo Monosaccharide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg216 b:33.7 occ:1.00 CE1 B:HIS162 2.0 27.2 1.0 O B:HOH349 2.2 36.6 1.0 O A:HOH358 2.2 28.5 1.0 NE2 B:HIS162 2.6 30.9 1.0 OD1 A:ASN137 2.6 28.0 1.0 ND2 A:ASN137 2.8 35.3 1.0 O A:HOH341 2.8 23.4 1.0 CG A:ASN137 2.9 29.6 1.0 ND1 B:HIS162 3.3 28.7 1.0 OG1 A:THR171 3.8 18.6 1.0 CD2 B:HIS162 3.9 27.0 1.0 OD1 A:ASP166 4.1 29.1 1.0 OD1 A:ASP169 4.1 25.3 1.0 CB A:ASN137 4.2 19.0 1.0 OG A:SER173 4.2 20.4 1.0 CG B:HIS162 4.2 23.9 1.0 CG A:ASP166 4.3 26.3 1.0 OD2 A:ASP169 4.4 21.2 1.0 CB A:ASP166 4.5 21.7 1.0 CA A:ASN137 4.6 19.2 1.0 CG A:ASP169 4.7 23.6 1.0 N A:ASN137 4.8 18.8 1.0 O A:HOH303 4.9 28.8 1.0 OD2 A:ASP166 5.0 23.3 1.0

H.P.Nguyen, N.O.Seto, C.R.Mackenzie, L.Brade, P.Kosma, H.Brade, S.V.Evans. Germline Antibody Recognition of Distinct Carbohydrate Epitopes. Nat.Struct.Biol. V. 10 1019 2003.
ISSN: ISSN 1072-8368
PubMed: 14625588
DOI: 10.1038/NSB1014