Magnesium in PDB 3t65: S25-2- A(2-8)Kdo Disaccharide Complex

The structure of S25-2- A(2-8)Kdo Disaccharide Complex, PDB code: 3t65 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)	19.77 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.900, 81.600, 131.500, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 21.1

The structure of S25-2- A(2-8)Kdo Disaccharide Complex also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the S25-2- A(2-8)Kdo Disaccharide Complex (pdb code 3t65). 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- A(2-8)Kdo Disaccharide Complex, PDB code: 3t65:

Magnesium binding site 1 out of 1 in the S25-2- A(2-8)Kdo Disaccharide 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- A(2-8)Kdo Disaccharide Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg305 b:22.6 occ:1.00 O A:HOH470 2.1 34.5 1.0 CE1 B:HIS162 2.1 28.3 1.0 O A:HOH400 2.2 32.1 1.0 NE2 B:HIS162 2.3 24.9 1.0 OD1 A:ASN137 2.3 24.0 1.0 O A:HOH371 2.8 23.5 1.0 CG A:ASN137 3.4 22.7 1.0 ND1 B:HIS162 3.4 33.9 1.0 CD2 B:HIS162 3.6 30.2 1.0 O B:HOH673 3.6 29.4 1.0 OG1 A:THR171 3.9 17.7 1.0 ND2 A:ASN137 4.0 32.7 1.0 OD1 A:ASP169 4.0 27.2 1.0 OD1 A:ASP166 4.0 31.6 1.0 CG B:HIS162 4.1 23.0 1.0 OG A:SER173 4.2 16.6 1.0 CG A:ASP166 4.2 24.6 1.0 CB A:ASP166 4.4 19.8 1.0 O A:HOH488 4.4 27.8 1.0 OD2 A:ASP169 4.4 20.3 1.0 CB A:ASN137 4.6 19.2 1.0 CG A:ASP169 4.6 23.1 1.0 CA A:ASN137 4.8 15.9 1.0 OD2 A:ASP166 4.9 26.4 1.0 N A:ASN137 4.9 16.2 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