Chlorine in PDB 5f16: Cta-Modified Hen Egg-White Lysozyme

All present enzymatic activity of Cta-Modified Hen Egg-White Lysozyme:
3.2.1.17;

The structure of Cta-Modified Hen Egg-White Lysozyme, PDB code: 5f16 was solved by C.Mcglone, J.C.Nix, R.C.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.23 / 1.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.111, 78.111, 37.610, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 24.8

The structure of Cta-Modified Hen Egg-White Lysozyme also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Cta-Modified Hen Egg-White Lysozyme (pdb code 5f16). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Cta-Modified Hen Egg-White Lysozyme, PDB code: 5f16:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Cta-Modified Hen Egg-White Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cta-Modified Hen Egg-White Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:18.2 occ:1.00 OH A:TYR23 3.0 19.0 1.0 O A:HOH421 3.1 34.0 1.0 O A:HOH356 3.2 21.2 1.0 CZ A:TYR23 3.6 17.4 1.0 CE2 A:TYR23 3.7 17.6 1.0 CA A:GLY104 4.1 16.6 1.0 O A:ARG21 4.6 22.3 1.0 N A:GLY104 4.7 17.7 1.0 CE1 A:TYR23 4.8 16.6 1.0 CD2 A:TYR23 4.9 15.8 1.0

Chlorine binding site 2 out of 3 in the Cta-Modified Hen Egg-White Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cta-Modified Hen Egg-White Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:23.4 occ:1.00 O A:HOH426 2.9 45.7 1.0 O A:HOH361 3.1 17.6 1.0 N A:THR69 3.2 18.5 1.0 O A:HOH400 3.3 32.8 1.0 O A:THR69 3.3 22.8 1.0 O A:HOH324 3.3 42.6 1.0 C A:THR69 3.5 19.3 1.0 N A:ARG68 3.6 18.0 1.0 C A:GLY67 3.6 20.9 1.0 CA A:GLY67 3.6 19.6 1.0 OD1 A:ASN65 3.6 21.2 1.0 N A:GLY67 3.7 16.5 1.0 OG A:SER72 3.8 20.0 1.0 CA A:THR69 3.8 19.3 1.0 O A:HOH379 4.1 19.9 1.0 O A:GLY67 4.2 23.4 1.0 CB A:THR69 4.2 16.3 1.0 C A:ARG68 4.2 20.7 1.0 N A:PRO70 4.3 23.9 1.0 OD1 A:ASP66 4.3 15.9 1.0 CA A:ARG68 4.4 21.0 1.0 CA A:PRO70 4.7 23.8 1.0 NA A:NA201 4.7 16.5 1.0 C A:ASP66 4.8 17.5 1.0 CG A:ASN65 4.8 17.4 1.0 OG1 A:THR69 4.9 16.5 1.0 N A:ASP66 4.9 13.6 1.0

Chlorine binding site 3 out of 3 in the Cta-Modified Hen Egg-White Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cta-Modified Hen Egg-White Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:26.7 occ:1.00 O A:HOH310 3.1 53.0 1.0 N A:ILE88 3.3 16.8 1.0 O A:HOH325 3.3 28.3 1.0 CG1 A:ILE88 3.7 20.2 1.0 O A:HOH377 3.7 47.6 1.0 CA A:ASP87 3.8 17.7 1.0 O A:SER86 4.0 23.5 1.0 C A:ASP87 4.1 16.2 1.0 CE1 A:HIS15 4.1 29.4 1.0 CZ A:PHE3 4.2 20.9 1.0 OD1 A:ASP87 4.2 26.2 1.0 CB A:ALA11 4.2 22.1 1.0 CG2 A:ILE88 4.3 24.3 1.0 NH1 A:ARG14 4.3 38.9 1.0 CG A:ASP87 4.3 48.3 1.0 CB A:ILE88 4.3 18.1 1.0 CA A:ILE88 4.3 16.9 1.0 CB A:ASP87 4.6 21.0 1.0 CD1 A:ILE88 4.6 19.4 1.0 CE2 A:PHE3 4.6 19.9 1.0 OD2 A:ASP87 4.7 38.0 1.0 N A:ASP87 4.8 16.6 1.0 ND1 A:HIS15 4.8 27.4 1.0 C A:SER86 4.8 18.6 1.0

M.Lucius, R.Falatach, C.Mcglone, K.Makaroff, A.Danielson, C.Williams, J.C.Nix, D.Konkolewicz, R.C.Page, J.A.Berberich. Investigating the Impact of Polymer Functional Groups on the Stability and Activity of Lysozyme-Polymer Conjugates. Biomacromolecules V. 17 1123 2016.
ISSN: ESSN 1526-4602
PubMed: 26866284
DOI: 10.1021/ACS.BIOMAC.5B01743