Chlorine in PDB 4j1b: X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Black Crystal)

All present enzymatic activity of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Black Crystal):
3.2.1.17;

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Black Crystal), PDB code: 4j1b was solved by A.Vergara, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.57 / 1.66
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.009, 78.009, 37.192, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 24.6

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Black Crystal) also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Black Crystal) (pdb code 4j1b). 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 Between Hen Egg White Lysozyme and Aziru (Black Crystal), PDB code: 4j1b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Black Crystal)


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 Between Hen Egg White Lysozyme and Aziru (Black Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:25.8 occ:1.00 OH A:TYR23 3.0 20.2 1.0 O A:HOH330 3.4 26.8 1.0 CZ A:TYR23 3.7 19.9 1.0 CE2 A:TYR23 3.7 20.8 1.0 CA A:GLY104 4.2 18.8 1.0 O A:ARG21 4.5 22.8 1.0 N A:GLY104 4.7 19.9 1.0 CE1 A:TYR23 4.8 17.9 1.0 CD2 A:TYR23 5.0 19.3 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and Aziru (Black Crystal)


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 Between Hen Egg White Lysozyme and Aziru (Black Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:31.1 occ:1.00 O A:HOH352 3.1 32.7 1.0 O A:HOH319 3.1 20.4 1.0 N A:THR69 3.1 22.1 1.0 O A:HOH328 3.2 40.1 1.0 O A:THR69 3.3 25.6 1.0 OD1 A:ASN65 3.5 25.3 1.0 N A:ARG68 3.5 22.5 1.0 C A:GLY67 3.6 23.8 1.0 OG A:SER72 3.7 28.3 1.0 C A:THR69 3.7 25.8 1.0 N A:GLY67 3.7 21.1 1.0 CA A:GLY67 3.7 21.0 1.0 CA A:THR69 3.9 23.2 1.0 O A:HOH324 4.0 23.5 1.0 C A:ARG68 4.1 22.7 1.0 O A:GLY67 4.2 24.4 1.0 CA A:ARG68 4.2 24.0 1.0 CB A:THR69 4.2 23.1 1.0 OD1 A:ASP66 4.3 20.4 1.0 N A:PRO70 4.5 28.1 1.0 NA A:NA203 4.6 26.2 1.0 CG A:ASN65 4.7 23.5 1.0 C A:ASP66 4.8 20.5 1.0 N A:ASP66 4.8 18.1 1.0 OG1 A:THR69 4.8 18.7 1.0 O A:HOH414 5.0 50.5 1.0 O A:HOH369 5.0 27.2 0.5 CB A:SER72 5.0 30.2 1.0

A.Vergara, G.D'errico, D.Montesarchio, G.Mangiapia, L.Paduano, A.Merlino. Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-Ray Structures and Raman Microscopy Studies of the Adduct Between Hen Egg White Lysozyme and Aziru. Inorg.Chem. V. 52 4157 2013.
ISSN: ISSN 0020-1669
PubMed: 23517183
DOI: 10.1021/IC4004142