Magnesium in PDB 6nl9: Crystal Structure of De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-Apo

The structure of Crystal Structure of De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-Apo, PDB code: 6nl9 was solved by B.Maniaci, S.Boguslaw, T.Huxford, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.64 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.817, 52.027, 50.148, 90.00, 114.48, 90.00
R / Rfree (%)	18.6 / 22.4

The structure of Crystal Structure of De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-Apo also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-Apo (pdb code 6nl9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-Apo, PDB code: 6nl9:

Magnesium binding site 1 out of 1 in the Crystal Structure of De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-Apo


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 De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-Apo within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:14.9 occ:1.00 O A:HOH218 2.0 17.0 1.0 O A:HOH215 4.2 13.8 1.0 OD2 A:ASP22 4.5 14.3 1.0 O A:HOH205 5.0 24.4 1.0

B.Maniaci, C.H.Lipper, D.L.Anipindi, H.Erlandsen, J.L.Cole, B.Stec, T.Huxford, J.J.Love. Design of High-Affinity Metal-Controlled Protein Dimers. Biochemistry V. 58 2199 2019.
ISSN: ISSN 0006-2960
PubMed: 30938154
DOI: 10.1021/ACS.BIOCHEM.9B00055