Chlorine in PDB 5v7e: T4 Lysozyme Y18YMCL

All present enzymatic activity of T4 Lysozyme Y18YMCL:
3.2.1.17;

The structure of T4 Lysozyme Y18YMCL, PDB code: 5v7e was solved by A.-C.C.Carlsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.98 / 1.36
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.610, 59.610, 95.120, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 20.5

The structure of T4 Lysozyme Y18YMCL also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the T4 Lysozyme Y18YMCL (pdb code 5v7e). 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 Y18YMCL, PDB code: 5v7e:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Y18YMCL


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Lysozyme Y18YMCL within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl18 b:11.3 occ:0.51 CL A:3CT18 0.0 11.3 0.5 CE1 A:3CT18 0.9 11.2 0.5 CE2 A:3CT18 1.8 9.2 0.5 CZ A:3CT18 1.8 10.3 0.5 CD1 A:3CT18 2.2 9.2 0.5 OH A:3CT18 2.3 9.6 0.5 CZ A:3CT18 2.7 12.3 0.5 CD2 A:3CT18 2.7 11.6 0.5 OH A:3CT18 2.9 11.6 0.5 CE2 A:3CT18 3.1 8.4 0.5 O A:GLY28 3.1 9.9 1.0 O A:HOH340 3.2 13.2 0.7 C A:ILE27 3.2 7.7 1.0 N A:GLY28 3.2 8.3 1.0 CG A:3CT18 3.3 9.1 0.5 CA A:ILE27 3.4 8.3 1.0 O A:HOH340 3.4 10.6 0.3 CB A:ARG14 3.6 13.8 1.0 CD2 A:3CT18 3.7 8.5 0.5 O A:ARG14 3.7 12.4 1.0 N A:ILE27 3.8 8.6 1.0 O A:ILE27 3.8 8.8 1.0 C A:GLY28 3.8 9.4 1.0 CG A:3CT18 4.0 10.2 0.5 CE1 A:3CT18 4.0 11.4 0.5 N A:ARG14 4.0 10.6 1.0 CG2 A:THR26 4.1 9.4 1.0 C A:THR26 4.1 9.3 1.0 CA A:GLY28 4.1 8.8 1.0 O A:THR26 4.1 9.2 1.0 CG A:ARG14 4.1 15.9 1.0 CA A:ARG14 4.2 10.8 1.0 C A:ARG14 4.3 11.0 1.0 CD A:ARG14 4.4 20.4 1.0 CD1 A:3CT18 4.5 10.1 0.5 CL A:3CT18 4.5 13.5 0.4 O A:LYS16 4.6 11.8 0.5 O A:LYS16 4.7 11.7 0.5 N A:GLY30 4.7 10.2 1.0 CB A:THR26 4.7 10.4 1.0 CB A:3CT18 4.7 11.1 0.5 CB A:ILE27 4.8 9.3 1.0 O A:HOH515 4.9 32.7 1.0 N A:ILE29 4.9 8.5 1.0 CG1 A:ILE27 5.0 10.0 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Y18YMCL


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Lysozyme Y18YMCL within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl18 b:13.5 occ:0.37 CL A:3CT18 0.0 13.5 0.4 CE2 A:3CT18 1.8 8.4 0.5 OH A:3CT18 2.0 11.6 0.5 CE1 A:3CT18 2.1 11.4 0.5 CZ A:3CT18 2.2 12.3 0.5 O A:HOH436 2.7 9.9 1.0 CZ A:3CT18 2.7 10.3 0.5 CD2 A:3CT18 2.8 8.5 0.5 OH A:3CT18 3.0 9.6 0.5 O A:HOH583 3.3 31.4 1.0 CD1 A:3CT18 3.3 10.1 0.5 CA A:ASP20 3.4 9.1 1.0 O A:HOH523 3.4 23.9 1.0 CE2 A:3CT18 3.5 9.2 0.5 CB A:ASP20 3.6 10.2 1.0 O A:HOH452 3.6 15.4 1.0 O A:HOH455 3.6 24.2 1.0 O A:LYS19 4.0 11.5 1.0 N A:ASP20 4.0 10.6 1.0 CE1 A:3CT18 4.0 11.2 0.5 CG A:3CT18 4.0 9.1 0.5 CG2 A:THR26 4.1 9.4 1.0 O A:HOH515 4.2 32.7 1.0 C A:LYS19 4.2 10.0 1.0 CB A:THR26 4.3 10.4 1.0 CG A:3CT18 4.3 10.2 0.5 CD2 A:3CT18 4.3 11.6 0.5 O A:HOH340 4.4 13.2 0.7 C A:ASP20 4.5 10.0 1.0 CD1 A:3CT18 4.5 9.2 0.5 CL A:3CT18 4.5 11.3 0.5 OG1 A:THR26 4.7 11.1 1.0 N A:THR21 4.8 11.2 0.4 N A:THR21 4.8 11.0 0.6 O A:HOH340 4.9 10.6 0.3

A.C.Carlsson, M.R.Scholfield, R.K.Rowe, M.C.Ford, A.T.Alexander, R.A.Mehl, P.S.Ho. Increasing Enzyme Stability and Activity Through Hydrogen Bond-Enhanced Halogen Bonds. Biochemistry V. 57 4135 2018.
ISSN: ISSN 1520-4995
PubMed: 29921126
DOI: 10.1021/ACS.BIOCHEM.8B00603