Zinc in PDB 8ug2: Crystal Structure of De Novo Designed Metal-Controlled Heterodimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G MCHET_A + MCHET_C

The structure of Crystal Structure of De Novo Designed Metal-Controlled Heterodimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G MCHET_A + MCHET_C, PDB code: 8ug2 was solved by M.Mealka, B.Maniaci, B.Stec, T.Huxford, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.93 / 1.36
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	69.859, 69.859, 25.732, 90, 90, 90
R / Rfree (%)	14.4 / 17.4

The structure of Crystal Structure of De Novo Designed Metal-Controlled Heterodimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G MCHET_A + MCHET_C also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of De Novo Designed Metal-Controlled Heterodimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G MCHET_A + MCHET_C (pdb code 8ug2). 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 Heterodimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G MCHET_A + MCHET_C, PDB code: 8ug2:
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 Heterodimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G MCHET_A + MCHET_C


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 Heterodimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G MCHET_A + MCHET_C within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn101 b:12.8 occ:1.00 H2 A:MET1 1.6 14.6 0.5 H2 B:MET1 1.7 20.1 0.5 H1 B:MET1 1.7 20.1 0.5 H1 A:MET1 1.8 14.6 0.5 OE2 A:GLU19 1.9 14.3 0.5 OE2 B:GLU19 1.9 14.0 0.5 N A:MET1 2.1 12.2 0.5 N B:MET1 2.1 16.8 0.5 CL A:CL103 2.2 13.2 1.0 H3 B:MET1 2.7 20.1 0.5 H3 A:MET1 2.7 14.6 0.5 HG2 B:GLU19 2.8 17.2 0.5 CD B:GLU19 2.9 11.1 0.5 HG2 A:GLU19 2.9 16.4 0.5 CD A:GLU19 2.9 14.2 0.5 HA A:MET1 3.1 13.8 0.5 CA A:MET1 3.1 11.5 0.5 CA B:MET1 3.1 16.5 0.5 HA B:MET1 3.2 19.7 0.5 CG B:GLU19 3.2 14.3 0.5 CG A:GLU19 3.4 13.7 0.5 HG3 B:GLU19 3.4 17.2 0.5 O A:ALA20 3.6 12.6 0.5 HG3 A:GLU19 3.6 16.4 0.5 C B:MET1 3.7 15.5 0.5 O B:MET1 3.7 14.7 0.5 O B:ALA20 3.7 13.5 0.5 C A:MET1 3.7 12.0 0.5 O A:MET1 3.8 12.9 0.5 OE1 B:GLU19 4.0 16.2 0.5 OE1 A:GLU19 4.1 14.6 0.5 HA A:VAL21 4.2 17.1 0.5 HG2 A:MET1 4.3 16.6 0.5 C A:ALA20 4.3 12.8 0.5 C B:ALA20 4.3 14.6 0.5 HA B:VAL21 4.4 14.6 0.5 CB A:MET1 4.4 11.8 0.5 N B:ALA20 4.4 10.0 0.5 CB B:MET1 4.4 15.9 0.5 HG2 B:MET1 4.5 20.4 0.5 N A:ALA20 4.5 14.0 0.5 CB B:GLU19 4.7 15.8 0.5 CG A:MET1 4.7 13.9 0.5 N B:THR2 4.7 15.7 0.5 HB2 B:MET1 4.7 19.1 0.5 N A:THR2 4.8 14.8 0.5 HB2 A:MET1 4.8 14.1 0.5 CG B:MET1 4.8 17.0 0.5 CB A:GLU19 4.8 13.2 0.5 SD A:MET1 4.8 15.2 0.5 HA A:GLU19 4.9 14.6 0.5 SD B:MET1 4.9 19.2 0.5 CA B:ALA20 4.9 10.3 0.5 HA B:GLU19 4.9 18.6 0.5 N A:VAL21 4.9 13.7 0.5

Zinc binding site 2 out of 2 in the Crystal Structure of De Novo Designed Metal-Controlled Heterodimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G MCHET_A + MCHET_C


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 Heterodimer of Mutant B1 Immunoglobulin-Binding Domain of Streptococcal Protein G MCHET_A + MCHET_C within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn102 b:14.3 occ:0.50 NE2 A:HIS29 2.1 14.3 0.5 OE2 B:GLU33 2.2 15.4 0.5 NE2 A:HIS33 2.3 14.2 0.5 CL B:CL101 2.3 19.8 1.0 OE2 B:GLU29 2.3 16.7 0.5 CD B:GLU33 2.5 12.5 0.5 OE1 B:GLU33 2.9 13.5 0.5 CD2 A:HIS29 3.0 11.9 0.5 HD2 A:HIS29 3.1 14.2 0.5 CD2 A:HIS33 3.1 12.0 0.5 CE1 A:HIS29 3.2 20.0 0.5 HD2 A:HIS33 3.2 14.4 0.5 CE1 A:HIS33 3.3 15.2 0.5 CD B:GLU29 3.3 13.6 0.5 HE1 A:HIS29 3.4 24.0 0.5 CG B:GLU33 3.4 11.1 0.5 HG2 B:GLU33 3.5 13.3 0.5 HE1 A:HIS33 3.5 18.3 0.5 HG3 B:GLU33 3.5 13.3 0.5 HG3 B:GLU29 3.6 15.3 0.5 HG2 B:GLU29 3.8 15.3 0.5 CG B:GLU29 3.8 12.8 0.5 HB A:VAL18 4.1 16.2 0.5 CG A:HIS29 4.2 11.5 0.5 HG23 B:VAL18 4.2 10.4 0.5 ND1 A:HIS29 4.2 22.0 0.5 OE1 B:GLU29 4.3 13.9 0.5 CG A:HIS33 4.3 14.8 0.5 ND1 A:HIS33 4.4 18.0 0.5 HG23 A:VAL18 4.4 14.4 0.5 HG21 A:VAL18 4.4 14.4 0.5 HB B:VAL18 4.5 12.1 0.5 HB B:VAL16 4.7 15.0 0.5 HD13 A:LEU16 4.7 19.1 0.5 O A:THR17 4.7 13.8 0.5 CG2 A:VAL18 4.8 12.0 0.5 HG21 B:VAL18 4.8 10.4 0.5 HE1 A:PHE30 4.8 16.0 0.5 CB B:GLU33 4.9 13.0 0.5 CG2 B:VAL18 4.9 8.7 0.5 CB A:VAL18 4.9 13.5 0.5 HD1 A:PHE30 4.9 16.9 0.5

B.Maniaci, M.Mealka, A.Bobkov, B.Stec, T.Huxford, J.Love. Design of Protein Heterodimers Utilizing Metal-Ligand and Salt-Bridge Interactions To Be Published.