Zinc in PDB 6nla: Crystal Structure of De Novo Designed Metal-Controlled Dimer of B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-Zinc

The structure of Crystal Structure of De Novo Designed Metal-Controlled Dimer of B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-Zinc, PDB code: 6nla 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)	31.58 / 1.34
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	63.155, 63.155, 39.610, 90.00, 90.00, 90.00
R / Rfree (%)	10.4 / 12.8

The structure of Crystal Structure of De Novo Designed Metal-Controlled Dimer of B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-Zinc also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Zinc atom in the Crystal Structure of De Novo Designed Metal-Controlled Dimer of B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-Zinc (pdb code 6nla). 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 B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-Zinc, PDB code: 6nla:
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 B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, 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 B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn101 b:16.4 occ:1.00 OE2 A:GLU19 2.0 17.9 1.0 N A:MET1 2.0 16.8 1.0 CL A:CL104 2.2 20.5 1.0 CD A:GLU19 3.0 16.5 1.0 CA A:MET1 3.1 16.6 1.0 CG A:GLU19 3.3 18.1 1.0 O A:ALA20 3.7 16.5 1.0 C A:MET1 3.8 15.9 1.0 O A:MET1 3.8 16.3 1.0 OE1 A:GLU19 4.1 17.9 1.0 C A:ALA20 4.3 16.3 1.0 CB A:MET1 4.4 18.1 1.0 N A:ALA20 4.5 15.4 1.0 O A:HOH253 4.5 35.5 1.0 SD A:MET1 4.6 21.7 1.0 CG A:MET1 4.6 20.2 1.0 CB A:GLU19 4.8 17.7 1.0 N A:THR2 4.9 16.7 1.0 N A:VAL21 4.9 17.0 1.0 CA A:VAL21 4.9 18.0 1.0 CA A:ALA20 5.0 16.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of De Novo Designed Metal-Controlled Dimer of B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, 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 B1 Immunoglobulin-Binding Domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn102 b:19.9 occ:1.00 NE2 A:HIS33 1.7 17.8 1.0 NE2 A:HIS29 2.0 20.0 1.0 CL A:CL103 2.2 21.8 1.0 CE1 A:HIS33 2.9 20.4 1.0 CD2 A:HIS33 2.9 20.0 1.0 CE1 A:HIS29 3.0 22.7 1.0 CD2 A:HIS29 3.1 18.2 1.0 ND1 A:HIS33 4.0 20.9 1.0 CG A:HIS33 4.1 18.4 1.0 ND1 A:HIS29 4.1 20.2 1.0 CG A:HIS29 4.2 18.0 1.0 C3 A:GOL105 4.4 38.2 1.0 O3 A:GOL105 4.4 43.3 1.0 OE1 A:GLN32 4.9 37.6 0.4 CG2 A:ILE18 4.9 16.2 1.0 O A:HOH229 5.0 33.9 0.6

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