Magnesium in PDB 6nlb: Crystal Structure of De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, 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, E15V, T16L, T18I, V29H, Y33H, N37L)-Apo, PDB code: 6nlb 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)	37.15 / 2.30
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	42.892, 42.892, 102.168, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 25.8

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, E15V, T16L, T18I, V29H, Y33H, N37L)-Apo (pdb code 6nlb). 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 De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-Apo, PDB code: 6nlb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, 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, E15V, T16L, T18I, V29H, Y33H, N37L)-Apo within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:43.5 occ:1.00 O A:HOH226 2.0 45.1 1.0 O A:HOH212 2.2 37.0 1.0 O B:ASP36 3.7 31.6 1.0 CG A:GLN32 4.0 26.7 1.0 OD2 A:ASP36 4.0 28.5 1.0 OE1 A:GLN32 4.5 26.0 1.0 CD A:GLN32 4.6 26.6 1.0 O A:HOH202 4.6 13.8 1.0 OD1 A:ASP36 4.6 30.0 1.0 C B:ASP36 4.7 31.7 1.0 CA B:ASP36 4.8 31.7 1.0 CB B:ASP36 4.8 31.4 1.0 CG A:ASP36 4.8 29.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-Apo


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 De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-Apo within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:38.5 occ:1.00 O B:HOH111 2.2 55.5 1.0 O B:HOH104 2.3 18.0 1.0 O B:HOH120 2.3 28.1 1.0 OD2 B:ASP36 4.1 31.4 1.0 O A:ASP36 4.2 31.6 1.0 OD1 A:ASP36 4.3 30.0 1.0 OE1 B:GLN32 4.5 33.7 1.0 CA A:ASP36 4.6 30.5 1.0 OD1 B:ASP36 4.6 30.9 1.0 CG B:ASP36 4.7 31.6 1.0 CB A:ASP36 4.8 30.0 1.0 CG A:ASP36 4.9 29.7 1.0 C A:ASP36 4.9 30.8 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