Chlorine in PDB 7xea: T4 Lysozyme Mutant-S44C/C54T/N68C/A93C/C97A/T115C, Dmso 40%, and Then Backsoaking

All present enzymatic activity of T4 Lysozyme Mutant-S44C/C54T/N68C/A93C/C97A/T115C, Dmso 40%, and Then Backsoaking:
3.2.1.17;

The structure of T4 Lysozyme Mutant-S44C/C54T/N68C/A93C/C97A/T115C, Dmso 40%, and Then Backsoaking, PDB code: 7xea was solved by T.Tamada, T.Hiromoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.05 / 1.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.898, 59.898, 96.77, 90, 90, 120
R / Rfree (%)	15.9 / 18.1

The structure of T4 Lysozyme Mutant-S44C/C54T/N68C/A93C/C97A/T115C, Dmso 40%, and Then Backsoaking also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Chlorine atom in the T4 Lysozyme Mutant-S44C/C54T/N68C/A93C/C97A/T115C, Dmso 40%, and Then Backsoaking (pdb code 7xea). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the T4 Lysozyme Mutant-S44C/C54T/N68C/A93C/C97A/T115C, Dmso 40%, and Then Backsoaking, PDB code: 7xea:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Mutant-S44C/C54T/N68C/A93C/C97A/T115C, Dmso 40%, and Then Backsoaking


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Lysozyme Mutant-S44C/C54T/N68C/A93C/C97A/T115C, Dmso 40%, and Then Backsoaking within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:13.9 occ:1.00 O A:HOH560 3.1 17.9 1.0 N A:ARG145 3.3 10.7 1.0 N A:ASN144 3.3 10.9 1.0 O A:HOH470 3.3 24.9 1.0 C A:THR142 3.4 10.1 1.0 CA A:THR142 3.5 10.0 1.0 CB A:THR142 3.7 10.4 1.0 CB A:ASN144 3.7 13.9 1.0 N A:PRO143 3.7 10.6 1.0 O A:THR142 3.8 10.3 1.0 CA A:ASN144 3.8 11.7 1.0 CB A:ARG145 4.0 11.7 1.0 C A:ASN144 4.0 10.8 1.0 CD A:PRO143 4.1 11.6 1.0 C A:PRO143 4.2 10.8 1.0 CA A:ARG145 4.3 11.0 1.0 CG2 A:THR142 4.3 11.7 1.0 CA A:PRO143 4.6 10.9 1.0 CG A:ASN144 4.6 17.9 1.0 O A:HOH346 4.7 15.9 1.0 CG A:PRO143 4.8 12.5 1.0 N A:THR142 4.9 10.1 1.0 OD1 A:ASN144 4.9 20.9 1.0 OG1 A:THR142 4.9 10.8 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Mutant-S44C/C54T/N68C/A93C/C97A/T115C, Dmso 40%, and Then Backsoaking


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Lysozyme Mutant-S44C/C54T/N68C/A93C/C97A/T115C, Dmso 40%, and Then Backsoaking within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:16.3 occ:1.00 SG A:CYS44 2.8 35.4 0.4 NZ A:LYS48 3.1 16.0 1.0 OE2 A:GLU45 3.2 19.2 0.3 CE A:LYS48 3.4 15.8 1.0 CD A:LYS48 3.8 14.1 1.0 CD A:GLU45 4.0 17.6 0.3 CB A:CYS44 4.1 11.0 0.6 O A:CYS44 4.1 11.9 0.6 O A:CYS44 4.2 18.6 0.4 C A:CYS44 4.2 12.1 0.6 C A:CYS44 4.2 18.2 0.4 OE1 A:GLU45 4.3 14.3 0.7 CB A:CYS44 4.3 30.3 0.4 CD A:GLU45 4.4 14.0 0.7 N A:GLU45 4.4 13.7 1.0 OE1 A:GLU45 4.5 17.3 0.3 OE2 A:GLU45 4.6 15.3 0.7 CA A:GLU45 4.6 13.8 0.7 CA A:GLU45 4.6 14.2 0.3 CB A:LYS48 4.6 13.6 1.0 CA A:CYS44 4.8 11.7 0.6 CG A:LYS48 4.8 14.2 1.0 CG A:GLU45 4.8 15.9 0.3 CG A:GLU45 4.9 13.9 0.7 CA A:CYS44 4.9 22.6 0.4

T.Hiromoto, T.Ikura, E.Honjo, M.Blaber, R.Kuroki, T.Tamada. Creation of Cross-Linked Crystals with Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions. Front Mol Biosci V. 9 08394 2022.
ISSN: ESSN 2296-889X
PubMed: 35755825
DOI: 10.3389/FMOLB.2022.908394