Chlorine 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:

Zinc	(Zn)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 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 Chlorine with other atoms in the Cl 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:Cl103 b:21.8 occ:1.00 ZN A:ZN102 2.2 19.9 1.0 NE2 A:HIS33 3.2 17.8 1.0 NE2 A:HIS29 3.6 20.0 1.0 CE1 A:HIS33 3.6 20.4 1.0 CG2 A:ILE18 3.9 16.2 1.0 O3 A:GOL105 4.1 43.3 1.0 C3 A:GOL105 4.2 38.2 1.0 CD2 A:HIS29 4.3 18.2 1.0 CD2 A:HIS33 4.5 20.0 1.0 CD1 A:LEU16 4.6 16.5 1.0 CE1 A:HIS29 4.6 22.7 1.0 ND1 A:HIS33 4.9 20.9 1.0 CD2 A:LEU16 5.0 17.2 1.0

Chlorine binding site 2 out of 3 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 Chlorine with other atoms in the Cl 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:Cl104 b:20.5 occ:1.00 ZN A:ZN101 2.2 16.4 1.0 O A:HOH253 3.2 35.5 1.0 N A:MET1 3.5 16.8 1.0 OE2 A:GLU19 3.5 17.9 1.0 CG A:GLU19 3.7 18.1 1.0 CA A:MET1 3.7 16.6 1.0 CD A:GLU19 4.0 16.5 1.0 C A:MET1 4.4 15.9 1.0 SD A:MET1 4.5 21.7 1.0 O A:MET1 4.8 16.3 1.0

Chlorine binding site 3 out of 3 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl106 b:26.2 occ:1.00 NZ A:LYS31 3.1 20.1 1.0 CE A:LYS31 3.9 23.1 1.0 CD A:LYS31 4.1 22.9 1.0 O A:HOH244 4.1 42.2 1.0 O A:HOH272 4.4 59.2 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