Magnesium in PDB 2r1x: Crystal Structure of S25-2 Fab in Complex with Kdo Analogues

The structure of Crystal Structure of S25-2 Fab in Complex with Kdo Analogues, PDB code: 2r1x was solved by C.L.Brooks, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.90 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.940, 81.490, 131.420, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 23.9

The structure of Crystal Structure of S25-2 Fab in Complex with Kdo Analogues also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of S25-2 Fab in Complex with Kdo Analogues (pdb code 2r1x). 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 S25-2 Fab in Complex with Kdo Analogues, PDB code: 2r1x:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of S25-2 Fab in Complex with Kdo Analogues


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 S25-2 Fab in Complex with Kdo Analogues within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg216 b:40.0 occ:1.00 ND2 A:ASN137 2.0 23.4 1.0 NE2 B:HIS162 2.4 25.4 1.0 CE1 B:HIS162 2.6 27.9 1.0 OD1 A:ASN137 2.7 25.9 1.0 CG A:ASN137 2.7 18.5 1.0 CD2 B:HIS162 3.7 26.3 1.0 ND1 B:HIS162 3.9 25.9 1.0 O A:HOH324 4.0 23.6 1.0 OD1 A:ASP169 4.1 25.6 1.0 CB A:ASN137 4.2 17.2 1.0 OD1 A:ASP166 4.3 29.1 1.0 CG B:HIS162 4.4 23.6 1.0 OG1 A:THR171 4.5 17.6 1.0 OG A:SER173 4.7 16.7 1.0 CG A:ASP166 4.7 23.3 1.0 OD2 A:ASP169 4.8 21.4 1.0 CG A:ASP169 4.8 22.8 1.0 CA A:ASN137 4.9 16.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of S25-2 Fab in Complex with Kdo Analogues


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 S25-2 Fab in Complex with Kdo Analogues within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg214 b:23.7 occ:1.00 O B:HOH266 2.8 21.6 1.0 OE2 B:GLU56 3.1 14.5 1.0 NH1 B:ARG52 3.5 12.5 1.0 CB B:THR54 3.6 14.4 1.0 OG1 B:THR54 3.8 14.8 1.0 CG2 B:THR54 4.0 15.4 1.0 O B:THR55 4.2 13.2 1.0 CD B:GLU56 4.2 14.6 1.0 O B:HOH370 4.5 19.1 1.0 CZ B:ARG52 4.6 10.7 1.0 OE1 B:GLU56 4.7 14.9 1.0 O B:HOH341 4.8 20.7 1.0 CA B:THR54 4.9 13.3 1.0 N B:THR55 4.9 13.5 1.0 NH2 B:ARG52 5.0 12.2 1.0

C.L.Brooks, S.Muller-Loennies, L.Brade, P.Kosma, T.Hirama, C.R.Mackenzie, H.Brade, S.V.Evans. Exploration of Specificity in Germline Monoclonal Antibody Recognition of A Range of Natural and Synthetic Epitopes. J.Mol.Biol. V. 377 450 2008.
ISSN: ISSN 0022-2836
PubMed: 18272175
DOI: 10.1016/J.JMB.2008.01.018