Chlorine in PDB 8rnw: Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2

All present enzymatic activity of Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2:
3.2.1.17;

The structure of Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2, PDB code: 8rnw was solved by M.Oszajca, M.Flejszar, A.Szura, P.Drozdz, M.Brindell, K.Kurpiewska, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.97 / 1.12
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.207, 78.207, 37.195, 90, 90, 90
R / Rfree (%)	15.6 / 17.1

The structure of Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2 also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2 (pdb code 8rnw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2, PDB code: 8rnw:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:27.0 occ:1.00 OG A:SER24 3.1 21.5 1.0 N A:GLY26 3.1 17.6 1.0 CA A:GLY26 3.5 17.3 1.0 CB A:SER24 3.5 20.0 1.0 CA A:GLN121 3.7 23.1 1.0 CD1 A:ILE124 3.9 28.0 1.0 CB A:GLN121 4.0 26.6 1.0 N A:GLN121 4.0 21.4 1.0 N A:LEU25 4.2 17.8 1.0 CG1 A:ILE124 4.3 26.0 1.0 O A:VAL120 4.3 21.3 1.0 CG2 A:VAL120 4.3 22.6 1.0 C A:LEU25 4.3 17.1 1.0 C A:VAL120 4.3 20.2 1.0 C A:SER24 4.4 18.2 1.0 C A:GLY26 4.5 16.3 1.0 CA A:SER24 4.6 18.2 1.0 N A:ASN27 4.7 15.9 1.0 CG A:GLN121 4.7 46.5 1.0 CA A:LEU25 4.7 17.9 1.0 O A:HOH302 4.8 31.6 1.0 O A:SER24 4.8 18.4 1.0 C A:GLN121 4.9 23.1 1.0

Chlorine binding site 2 out of 4 in the Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:43.1 occ:1.00 ND2 A:ASN65 3.1 23.8 1.0 O A:HOH408 3.2 32.6 1.0 CB A:PRO79 3.6 19.4 1.0 CA A:PRO79 3.7 18.6 1.0 CB A:ASN65 3.8 19.5 1.0 CG A:ASN65 3.9 21.8 1.0 N A:PRO79 4.0 20.0 1.0 O A:ASN65 4.2 16.9 1.0 CD A:PRO79 4.3 21.3 1.0 CG A:PRO79 4.4 22.3 1.0 C A:ILE78 4.5 19.9 0.8 O A:ILE78 4.6 19.1 0.8 C A:ILE78 4.7 20.9 0.2 C A:ASN65 4.8 15.9 1.0 CA A:ASN65 4.8 17.9 1.0 O A:HOH390 4.9 23.3 1.0 ND2 A:ASN74 5.0 23.9 1.0 O A:ILE78 5.0 20.2 0.2

Chlorine binding site 3 out of 4 in the Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:20.0 occ:1.00 OH A:TYR23 3.0 17.1 1.0 O A:HOH347 3.3 21.2 1.0 O A:HOH391 3.4 43.1 1.0 CZ A:TYR23 3.7 15.6 1.0 CE2 A:TYR23 3.7 16.5 1.0 CA A:GLY104 4.1 17.6 1.0 O A:ARG21 4.6 18.3 0.5 O A:ARG21 4.6 19.4 0.5 N A:GLY104 4.7 18.2 1.0 CE1 A:TYR23 4.9 15.0 1.0 CD2 A:TYR23 4.9 15.7 1.0 NH2 A:ARG21 5.0 31.1 0.5

Chlorine binding site 4 out of 4 in the Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hen Egg White Lysozyme Soaked with Trans-Ru(Dmso)4CL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:21.4 occ:0.67 N A:THR69 3.1 18.5 1.0 O A:THR69 3.1 21.2 1.0 O A:HOH374 3.2 19.2 1.0 O A:HOH420 3.2 36.9 1.0 O A:HOH364 3.4 46.5 1.0 N A:ARG68 3.5 19.1 1.0 C A:GLY67 3.5 20.0 1.0 C A:THR69 3.5 20.8 1.0 OG A:SER72 3.7 29.5 1.0 CA A:GLY67 3.7 20.5 1.0 OD1 A:ASN65 3.7 22.4 1.0 N A:GLY67 3.7 20.0 1.0 CA A:THR69 3.8 19.1 1.0 O A:HOH405 4.0 24.8 1.0 C A:ARG68 4.1 19.8 1.0 CB A:THR69 4.1 18.5 1.0 O A:GLY67 4.1 22.2 1.0 CA A:ARG68 4.2 19.3 1.0 OD1 A:ASP66 4.2 16.2 1.0 N A:PRO70 4.4 23.2 1.0 O A:HOH365 4.7 43.7 0.8 NA A:NA208 4.7 18.6 0.7 OG1 A:THR69 4.7 17.7 1.0 C A:ASP66 4.8 17.9 1.0 N A:ASP66 4.9 15.6 1.0 CG A:ASN65 4.9 21.8 1.0 CA A:PRO70 4.9 25.1 1.0 CB A:SER72 4.9 29.0 1.0

M.Oszajca, M.Flejszar, A.Szura, P.Drozdz, M.Brindell, K.Kurpiewska. Exploring the Coordination Chemistry of Ruthenium Complexes with Lysozymes: Structural and in Solution Studies To Be Published.