Chlorine in PDB 3sbb: Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization

All present enzymatic activity of Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization:
3.2.1.17;

The structure of Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization, PDB code: 3sbb was solved by A.Laganowsky, A.B.Soriaga, M.Zhao, M.R.Sawaya, D.Cascio, T.O.Yeates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.24 / 1.43
Space group	P 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.988, 83.988, 58.923, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 17.7

The binding sites of Chlorine atom in the Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization (pdb code 3sbb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization, PDB code: 3sbb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl163 b:17.1 occ:1.00 OG C:SER117 3.2 15.6 1.0 N C:SER117 3.3 12.6 1.0 C C:PHE114 3.5 12.1 1.0 CA C:PHE114 3.5 11.9 1.0 N C:ASN116 3.6 13.9 1.0 OD1 C:ASN132 3.6 15.0 0.5 CB C:SER117 3.8 13.6 1.0 O C:PHE114 3.8 13.3 1.0 N C:THR115 3.8 12.2 1.0 CB C:PHE114 3.8 11.6 1.0 CB C:ASN116 3.9 15.7 1.0 CD2 C:PHE114 4.0 14.1 1.0 CA C:ASN116 4.1 13.8 1.0 CA C:SER117 4.1 11.6 1.0 C C:ASN116 4.1 13.3 1.0 O C:HOH262 4.4 20.1 1.0 CG C:PHE114 4.4 11.0 1.0 C C:THR115 4.5 12.8 1.0 CA C:THR115 4.7 14.2 0.5 CA C:THR115 4.7 13.3 0.5 CG C:ASN132 4.8 12.1 0.5 CG C:ASN116 4.9 18.4 1.0 N C:PHE114 4.9 11.9 1.0 O C:GLY113 4.9 12.9 1.0 O C:HOH295 5.0 22.0 1.0

Chlorine binding site 2 out of 3 in the Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl164 b:17.1 occ:1.00 O C:HOH293 3.1 22.0 1.0 O C:HOH380 3.3 31.3 1.0 N C:ASN144 3.3 12.8 1.0 N C:ARG145 3.3 12.1 1.0 C C:THR142 3.3 13.6 1.0 CA C:THR142 3.4 13.8 1.0 CB C:ASN144 3.6 15.2 1.0 CB C:THR142 3.6 13.3 1.0 N C:PRO143 3.6 12.9 1.0 O C:THR142 3.7 12.7 1.0 CA C:ASN144 3.8 13.6 1.0 OD1 C:ASN144 4.1 29.4 1.0 C C:ASN144 4.1 12.9 1.0 CB C:ARG145 4.1 12.4 1.0 CD C:PRO143 4.1 13.3 1.0 CG C:ASN144 4.2 21.3 1.0 C C:PRO143 4.2 11.6 1.0 CA C:ARG145 4.3 11.9 1.0 CG2 C:THR142 4.3 14.9 1.0 O C:HOH389 4.4 32.5 1.0 CA C:PRO143 4.5 11.9 1.0 O C:HOH285 4.6 20.1 1.0 CG C:PRO143 4.8 13.5 1.0 OG1 C:THR142 4.8 15.6 1.0 N C:THR142 4.8 12.7 1.0

Chlorine binding site 3 out of 3 in the Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Disulphide-Mediated Tetramer of T4 Lysozyme R76C/R80C By Synthetic Symmetrization within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl165 b:44.7 occ:0.30 OD1 C:ASP92 2.6 23.9 1.0 O C:HOH217 3.3 41.5 1.0 CZ2 C:TRP126 3.6 14.9 1.0 CG C:ASP92 3.7 20.1 0.5 CH2 C:TRP126 3.7 15.3 1.0 NZ C:LYS124 3.7 28.1 1.0 N C:ASP92 3.8 20.4 1.0 O C:SER90 3.9 20.2 1.0 CB C:ASP92 4.0 25.8 1.0 NH1 C:ARG95 4.0 15.5 1.0 CA C:LEU91 4.4 17.0 1.0 CE C:LYS124 4.4 31.0 1.0 C C:LEU91 4.5 18.1 1.0 CA C:ASP92 4.5 22.0 1.0 O C:HOH259 4.6 21.4 1.0 CD C:LYS124 4.6 28.7 1.0 O C:HOH370 4.6 34.6 1.0 OD2 C:ASP92 4.8 12.7 0.5 CE2 C:TRP126 4.9 13.5 1.0 CZ3 C:TRP126 4.9 15.1 1.0 C C:SER90 4.9 17.3 1.0 CD2 C:LEU91 4.9 16.5 1.0

A.Laganowsky, M.Zhao, A.B.Soriaga, M.R.Sawaya, D.Cascio, T.O.Yeates. An Approach to Crystallizing Proteins By Metal-Mediated Synthetic Symmetrization. Protein Sci. V. 20 1876 2011.
ISSN: ISSN 0961-8368
PubMed: 21898649
DOI: 10.1002/PRO.727