Chlorine in PDB 4ny5: X-Ray Structure of the Adduct Formed Between Hen Egg White Lysozyme and Nami-A

All present enzymatic activity of X-Ray Structure of the Adduct Formed Between Hen Egg White Lysozyme and Nami-A:
3.2.1.17;

The structure of X-Ray Structure of the Adduct Formed Between Hen Egg White Lysozyme and Nami-A, PDB code: 4ny5 was solved by L.Messori, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.15 / 1.85
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.772, 77.772, 37.316, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 24

The structure of X-Ray Structure of the Adduct Formed Between Hen Egg White Lysozyme and Nami-A also contains other interesting chemical elements:

Ruthenium	(Ru)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the X-Ray Structure of the Adduct Formed Between Hen Egg White Lysozyme and Nami-A (pdb code 4ny5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the Adduct Formed Between Hen Egg White Lysozyme and Nami-A, PDB code: 4ny5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of the Adduct Formed Between Hen Egg White Lysozyme and Nami-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Adduct Formed Between Hen Egg White Lysozyme and Nami-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:24.9 occ:1.00 OH A:TYR23 2.9 18.3 1.0 O A:HOH311 3.5 24.9 1.0 CZ A:TYR23 3.7 18.1 1.0 CE2 A:TYR23 3.8 19.7 1.0 CA A:GLY104 4.2 20.1 1.0 O A:ARG21 4.5 22.7 1.0 N A:GLY104 4.8 19.1 1.0 CE1 A:TYR23 4.9 19.2 1.0 CD2 A:TYR23 5.0 18.6 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of the Adduct Formed Between Hen Egg White Lysozyme and Nami-A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Adduct Formed Between Hen Egg White Lysozyme and Nami-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:30.5 occ:1.00 O A:HOH354 3.1 20.2 1.0 O A:HOH306 3.1 30.0 1.0 N A:THR69 3.1 23.0 1.0 O A:HOH405 3.3 39.9 1.0 N A:ARG68 3.4 24.9 1.0 C A:GLY67 3.5 29.7 1.0 O A:THR69 3.5 22.8 1.0 CA A:GLY67 3.6 25.0 1.0 OG A:SER72 3.6 29.5 1.0 OD1 A:ASN65 3.7 28.0 1.0 C A:THR69 3.7 24.7 1.0 N A:GLY67 3.7 23.9 1.0 CA A:THR69 3.9 24.6 1.0 O A:GLY67 4.0 28.3 1.0 O A:HOH361 4.1 26.3 1.0 C A:ARG68 4.1 24.1 1.0 CA A:ARG68 4.2 25.1 1.0 CB A:THR69 4.3 26.6 1.0 OD1 A:ASP66 4.3 18.9 1.0 N A:PRO70 4.5 26.4 1.0 NA A:NA205 4.7 24.1 1.0 C A:ASP66 4.8 23.8 1.0 CG A:ASN65 4.8 24.7 1.0 OG1 A:THR69 4.9 23.2 1.0 N A:ASP66 4.9 18.3 1.0 CB A:SER72 4.9 28.6 1.0 CA A:PRO70 5.0 28.6 1.0

L.Messori, A.Merlino. Ruthenium Metalation of Proteins: the X-Ray Structure of the Complex Formed Between Nami-A and Hen Egg White Lysozyme. Dalton Trans V. 43 6128 2014.
ISSN: ISSN 1477-9226
PubMed: 24553967
DOI: 10.1039/C3DT53582G