Zinc in PDB 6nl8: Crystal Structure of De Novo Designed Metal-Controlled Dimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-Zinc

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)-Zinc, PDB code: 6nl8 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)	34.94 / 1.50
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	69.828, 69.828, 24.157, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 16.3

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)-Zinc also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Zinc 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)-Zinc (pdb code 6nl8). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where 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)-Zinc, PDB code: 6nl8:
Jump to Zinc binding site number: 1; 2;

Zinc 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, T16L, V29H, Y33H, N37L)-Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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)-Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn101 b:21.2 occ:1.00 OE2 A:GLU19 1.9 26.4 1.0 N A:MET1 2.0 20.7 1.0 CL A:CL105 2.2 24.4 1.0 CD A:GLU19 2.7 29.3 1.0 OE1 A:GLU19 2.9 27.6 1.0 CA A:MET1 2.9 20.1 0.7 CA A:MET1 3.1 20.2 0.3 C A:MET1 3.7 20.7 1.0 O A:ALA20 3.9 19.9 1.0 O A:MET1 3.9 20.4 1.0 CG A:GLU19 4.1 27.9 1.0 CB A:MET1 4.2 21.6 0.7 O A:HOH203 4.4 35.3 1.0 CB A:MET1 4.4 18.4 0.3 CG A:MET1 4.4 24.9 0.7 C A:ALA20 4.6 22.2 1.0 N A:THR2 4.6 19.2 1.0 CG A:MET1 4.7 19.7 0.3 N A:ALA20 4.7 19.6 1.0 SD A:MET1 4.9 23.2 0.3

Zinc 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, T16L, V29H, Y33H, N37L)-Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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, T16L, V29H, Y33H, N37L)-Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn102 b:35.9 occ:1.00 NE2 A:HIS29 2.2 32.5 1.0 NE2 A:HIS33 2.2 40.9 1.0 CL A:CL104 2.2 36.7 1.0 CL A:CL103 2.7 31.0 1.0 CD2 A:HIS33 3.0 48.0 1.0 CD2 A:HIS29 3.2 35.2 1.0 CE1 A:HIS29 3.3 43.7 1.0 CE1 A:HIS33 3.4 40.7 1.0 CG A:HIS33 4.3 36.5 1.0 CG A:HIS29 4.4 32.9 1.0 ND1 A:HIS29 4.4 31.9 1.0 OG1 A:THR18 4.4 44.5 1.0 ND1 A:HIS33 4.4 36.1 1.0 CB A:THR18 4.5 29.2 1.0 O A:THR17 4.8 31.9 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