Magnesium in PDB 3hzy: Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo(2.4)Kdo(2.4)Kdo

The structure of Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo(2.4)Kdo(2.4)Kdo, PDB code: 3hzy was solved by C.L.Brooks, S.Muller-Loennies, S.N.Borisova, L.Brade, P.Kosma, T.Hirama, C.R.Mackenzie, H.Brade, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.80 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.945, 81.966, 128.242, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 26.1

The structure of Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo(2.4)Kdo(2.4)Kdo also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo(2.4)Kdo(2.4)Kdo (pdb code 3hzy). 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 S73-2 Antibody in Complex with Antigen Kdo(2.4)Kdo(2.4)Kdo, PDB code: 3hzy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo(2.4)Kdo(2.4)Kdo


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 S73-2 Antibody in Complex with Antigen Kdo(2.4)Kdo(2.4)Kdo within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg216 b:33.4 occ:1.00 OD1 A:ASN137 2.2 34.7 1.0 CE1 B:HIS163 2.5 36.4 1.0 NE2 B:HIS163 2.6 40.3 1.0 OD1 A:ASP166 3.1 48.4 1.0 O A:HOH284 3.2 35.7 1.0 CG A:ASN137 3.4 32.7 1.0 ND1 B:HIS163 3.8 41.5 1.0 OD1 A:ASP169 3.9 43.8 1.0 OG1 A:THR171 3.9 31.2 1.0 CD2 B:HIS163 4.0 37.5 1.0 ND2 A:ASN137 4.0 40.3 1.0 CG A:ASP166 4.0 38.9 1.0 OD2 A:ASP169 4.4 35.0 1.0 CB A:ASP166 4.5 32.4 1.0 CG B:HIS163 4.5 38.5 1.0 OG A:SER173 4.6 31.6 1.0 CB A:ASN137 4.6 29.9 1.0 CG A:ASP169 4.6 34.8 1.0 O A:HOH276 4.8 40.6 1.0 CA A:ASN137 4.9 31.4 1.0 OD2 A:ASP166 5.0 40.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo(2.4)Kdo(2.4)Kdo


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 S73-2 Antibody in Complex with Antigen Kdo(2.4)Kdo(2.4)Kdo within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg220 b:25.9 occ:1.00 OH B:TYR100D 2.2 38.9 1.0 OE1 A:GLU55 2.4 39.1 1.0 O A:HOH289 2.9 27.8 1.0 ZN A:ZN214 3.2 45.3 1.0 OD2 B:ASP101 3.2 38.5 1.0 CD A:GLU55 3.3 36.2 1.0 CZ B:TYR100D 3.3 40.0 1.0 CB B:ASP101 3.3 34.8 1.0 OE2 A:GLU55 3.5 34.9 1.0 O A:HOH262 3.7 30.9 1.0 CE2 B:TYR100D 3.7 37.1 1.0 CG B:ASP101 3.7 41.5 1.0 O B:HOH308 4.1 43.6 1.0 CE2 B:TYR102 4.4 39.1 1.0 CE1 B:TYR100D 4.5 41.9 1.0 CD2 A:LEU46 4.5 28.8 1.0 CG A:GLU55 4.7 31.4 1.0 CA B:ASP101 4.7 34.3 1.0 OH B:TYR102 4.7 47.3 1.0 CZ B:TYR102 4.9 43.2 1.0 OD1 B:ASP101 4.9 37.1 1.0 O B:ASP101 4.9 32.1 1.0

C.L.Brooks, S.Muller-Loennies, S.N.Borisova, L.Brade, P.Kosma, T.Hirama, C.R.Mackenzie, H.Brade, S.V.Evans. Antibodies Raised Against Chlamydial Lipopolysaccharide Antigens Reveal Convergence in Germline Gene Usage and Differential Epitope Recognition Biochemistry V. 49 570 2010.
ISSN: ISSN 0006-2960
PubMed: 20000757
DOI: 10.1021/BI9011308