Magnesium in PDB 3bpc: Co-Crystal Structure of S25-2 Fab in Complex with 5-Deoxy-4-Epi-2,3- Dehydro Kdo (4.8) Kdo

The structure of Co-Crystal Structure of S25-2 Fab in Complex with 5-Deoxy-4-Epi-2,3- Dehydro Kdo (4.8) Kdo, PDB code: 3bpc 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)	20.00 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.850, 81.290, 132.340, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 27.3

The structure of Co-Crystal Structure of S25-2 Fab in Complex with 5-Deoxy-4-Epi-2,3- Dehydro Kdo (4.8) Kdo also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Co-Crystal Structure of S25-2 Fab in Complex with 5-Deoxy-4-Epi-2,3- Dehydro Kdo (4.8) Kdo (pdb code 3bpc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Co-Crystal Structure of S25-2 Fab in Complex with 5-Deoxy-4-Epi-2,3- Dehydro Kdo (4.8) Kdo, PDB code: 3bpc:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Co-Crystal Structure of S25-2 Fab in Complex with 5-Deoxy-4-Epi-2,3- Dehydro Kdo (4.8) Kdo


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Crystal Structure of S25-2 Fab in Complex with 5-Deoxy-4-Epi-2,3- Dehydro Kdo (4.8) Kdo within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg216 b:50.1 occ:1.00 OE2 A:GLU184 2.6 23.4 1.0 NE2 A:HIS188 2.9 16.1 1.0 CD A:GLU184 3.5 24.4 1.0 CE1 A:HIS188 3.6 20.7 1.0 OE1 A:GLU184 3.7 24.9 1.0 CD2 A:HIS188 3.9 18.3 1.0 O A:HOH282 4.3 34.8 1.0 CG A:GLU184 4.7 21.1 1.0 ND1 A:HIS188 4.7 19.1 1.0 CG A:HIS188 4.9 19.2 1.0

Magnesium binding site 2 out of 2 in the Co-Crystal Structure of S25-2 Fab in Complex with 5-Deoxy-4-Epi-2,3- Dehydro Kdo (4.8) Kdo


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Co-Crystal Structure of S25-2 Fab in Complex with 5-Deoxy-4-Epi-2,3- Dehydro Kdo (4.8) Kdo within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg218 b:22.3 occ:1.00 NZ B:LYS62 2.2 22.7 1.0 CE B:LYS62 3.2 25.8 1.0 O B:HOH517 3.4 37.7 1.0 CD B:LYS62 4.6 23.6 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