Magnesium in PDB 3hzm: Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo

The structure of Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo, PDB code: 3hzm 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)	19.65 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.000, 81.800, 127.980, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.9

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

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo (pdb code 3hzm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo, PDB code: 3hzm:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of S73-2 Antibody in Complex with Antigen 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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg214 b:29.6 occ:1.00 OE2 A:GLU55 2.5 39.8 1.0 O A:HOH341 2.8 37.8 1.0 CD A:GLU55 3.3 42.1 1.0 OE1 A:GLU55 3.5 41.2 1.0 N A:SER56 4.0 31.6 1.0 OH A:TYR49 4.0 29.0 1.0 CB A:SER56 4.1 46.2 1.0 CG A:GLU55 4.6 28.1 1.0 CE2 B:TYR100D 4.6 42.2 1.0 CZ B:TYR100D 4.6 67.2 1.0 OH B:TYR100D 4.7 60.4 1.0 CA A:SER56 4.7 36.6 1.0 CE1 A:TYR49 4.7 30.4 1.0 CA A:GLU55 4.8 26.1 1.0 CZ A:TYR49 4.8 27.7 1.0 C A:GLU55 4.9 30.1 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of S73-2 Antibody in Complex with Antigen 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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg216 b:32.0 occ:1.00 O A:HOH277 2.0 31.8 1.0 O A:HOH242 2.2 32.1 1.0 ND2 A:ASN137 2.2 23.9 1.0 CE1 B:HIS163 2.3 29.3 1.0 O A:HOH335 2.6 32.8 1.0 NE2 B:HIS163 2.8 44.1 1.0 CG A:ASN137 3.4 38.5 1.0 ND1 B:HIS163 3.6 39.1 1.0 OD1 A:ASP169 3.7 36.5 1.0 OD1 A:ASP166 3.7 41.5 1.0 OG1 A:THR171 3.8 25.1 1.0 OD1 A:ASN137 4.1 55.7 1.0 CG A:ASP166 4.1 36.5 1.0 CD2 B:HIS163 4.2 33.4 1.0 CB A:ASP166 4.2 32.8 1.0 OD2 A:ASP169 4.2 27.9 1.0 CG A:ASP169 4.4 38.3 1.0 OG A:SER173 4.4 23.6 1.0 CB A:ASN137 4.5 20.9 1.0 CG B:HIS163 4.5 34.0 1.0 O A:HOH350 4.5 33.0 1.0 CA A:ASN137 4.6 27.6 1.0 N A:ASN137 4.9 20.4 1.0 OD2 A:ASP166 4.9 38.1 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of S73-2 Antibody in Complex with Antigen Kdo within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg217 b:41.1 occ:1.00 OE2 A:GLU184 3.1 42.5 1.0 NE2 A:HIS188 3.4 19.9 1.0 OE1 A:GLU184 3.8 23.1 1.0 CD A:GLU184 3.9 34.6 1.0 CE1 A:HIS188 3.9 35.9 1.0 NH1 A:ARG154 3.9 44.4 1.0 CD2 A:HIS188 4.4 22.1 1.0 ND1 A:HIS188 4.9 25.2 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