Magnesium in PDB 2r1y: 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: 2r1y 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)	19.94 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.740, 81.420, 131.410, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 25.5

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 2r1y). 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: 2r1y:
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:Mg214 b:35.3 occ:1.00 OD1 A:ASN137 2.0 32.2 1.0 NE2 B:HIS162 2.1 33.2 1.0 CE1 B:HIS162 2.5 34.2 1.0 CG A:ASN137 2.9 28.9 1.0 O A:HOH299 2.9 31.8 1.0 ND2 A:ASN137 3.2 35.3 1.0 CD2 B:HIS162 3.4 34.2 1.0 ND1 B:HIS162 3.8 35.4 1.0 O A:HOH316 3.9 35.6 1.0 OD1 A:ASP169 4.1 32.1 1.0 CG B:HIS162 4.2 30.8 1.0 CB A:ASN137 4.3 24.9 1.0 OG A:SER173 4.6 25.2 1.0 OG1 A:THR171 4.6 22.3 1.0 CA A:ASN137 4.8 24.1 1.0 N A:ASN137 4.9 24.1 1.0 CG A:ASP169 5.0 28.9 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 A:Mg215 b:24.9 occ:1.00 OD2 A:ASP150 1.9 27.8 1.0 ND1 A:HIS188 2.2 24.2 1.0 O A:HOH371 2.2 27.8 1.0 CG A:ASP150 3.0 25.6 1.0 CE1 A:HIS188 3.0 22.6 1.0 CG A:HIS188 3.3 22.9 1.0 O A:HOH310 3.3 35.3 1.0 CB A:ASP150 3.4 26.0 1.0 O A:ARG187 3.6 23.1 1.0 CB A:HIS188 3.7 22.1 1.0 CA A:HIS188 3.8 21.8 1.0 OD1 A:ASP150 4.1 27.6 1.0 NE2 A:HIS188 4.2 22.2 1.0 CD2 A:HIS188 4.3 22.2 1.0 C A:ARG187 4.5 22.6 1.0 N A:HIS188 4.6 21.8 1.0 N A:ASN189 4.8 21.4 1.0 C A:HIS188 4.9 21.5 1.0 CA A:ASP150 4.9 26.1 1.0 O A:HOH342 4.9 35.7 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