Chlorine in PDB 8rnx: Hen Egg White Lysozyme Soaked with [Hisq][Trans-RUCL4(Dmso)(Isq)]

All present enzymatic activity of Hen Egg White Lysozyme Soaked with [Hisq][Trans-RUCL4(Dmso)(Isq)]:
3.2.1.17;

The structure of Hen Egg White Lysozyme Soaked with [Hisq][Trans-RUCL4(Dmso)(Isq)], PDB code: 8rnx 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)	19.16 / 1.25
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.993, 78.993, 37.002, 90, 90, 90
R / Rfree (%)	22.2 / 24.8

The structure of Hen Egg White Lysozyme Soaked with [Hisq][Trans-RUCL4(Dmso)(Isq)] also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Hen Egg White Lysozyme Soaked with [Hisq][Trans-RUCL4(Dmso)(Isq)] (pdb code 8rnx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Hen Egg White Lysozyme Soaked with [Hisq][Trans-RUCL4(Dmso)(Isq)], PDB code: 8rnx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Hen Egg White Lysozyme Soaked with [Hisq][Trans-RUCL4(Dmso)(Isq)]


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 [Hisq][Trans-RUCL4(Dmso)(Isq)] within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:27.7 occ:1.00 OG A:SER24 3.0 24.5 1.0 N A:GLY26 3.1 21.0 1.0 CA A:GLY26 3.5 20.6 1.0 CB A:SER24 3.5 20.4 1.0 CD1 A:ILE124 3.6 36.9 1.0 CA A:GLN121 3.7 25.4 1.0 N A:GLN121 4.0 28.1 1.0 CG1 A:ILE124 4.0 23.9 1.0 CB A:GLN121 4.1 34.3 1.0 N A:LEU25 4.2 22.8 1.0 CG2 A:VAL120 4.2 26.9 1.0 O A:VAL120 4.3 23.5 1.0 C A:VAL120 4.3 22.9 1.0 C A:LEU25 4.3 21.8 1.0 C A:SER24 4.3 20.9 1.0 CG A:GLN121 4.4 42.6 1.0 C A:GLY26 4.5 19.5 1.0 CA A:SER24 4.6 21.8 1.0 N A:ASN27 4.7 18.2 1.0 CA A:LEU25 4.7 23.5 1.0 O A:SER24 4.8 21.6 1.0 C A:GLN121 4.9 23.8 1.0

Chlorine binding site 2 out of 3 in the Hen Egg White Lysozyme Soaked with [Hisq][Trans-RUCL4(Dmso)(Isq)]


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 [Hisq][Trans-RUCL4(Dmso)(Isq)] within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:23.8 occ:1.00 O A:HOH334 3.1 19.9 1.0 N A:THR69 3.2 19.2 1.0 O A:HOH382 3.2 35.4 1.0 O A:THR69 3.3 21.7 1.0 O A:HOH385 3.4 28.5 1.0 N A:ARG68 3.5 20.1 1.0 O A:HOH355 3.5 35.9 1.0 C A:GLY67 3.5 19.3 1.0 CA A:GLY67 3.6 19.8 1.0 C A:THR69 3.6 18.4 1.0 OG A:SER72 3.7 21.9 1.0 N A:GLY67 3.7 20.2 1.0 OD1 A:ASN65 3.7 21.3 1.0 CA A:THR69 3.8 18.6 1.0 O A:HOH348 4.1 23.2 1.0 O A:GLY67 4.1 24.9 1.0 CB A:THR69 4.1 19.1 1.0 C A:ARG68 4.1 20.6 1.0 OD1 A:ASP66 4.2 18.0 1.0 CA A:ARG68 4.2 21.1 1.0 N A:PRO70 4.5 19.2 1.0 NA A:NA202 4.7 20.6 1.0 OG1 A:THR69 4.7 20.1 1.0 C A:ASP66 4.7 19.9 1.0 O A:HOH356 4.8 27.4 0.5 CB A:SER72 4.9 18.6 1.0 N A:ASP66 4.9 17.1 1.0 CG A:ASN65 4.9 20.9 1.0 CA A:PRO70 5.0 20.3 1.0

Chlorine binding site 3 out of 3 in the Hen Egg White Lysozyme Soaked with [Hisq][Trans-RUCL4(Dmso)(Isq)]


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 [Hisq][Trans-RUCL4(Dmso)(Isq)] within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:22.9 occ:1.00 ND2 A:ASN113 3.3 18.7 1.0 CB A:ASN113 3.6 20.6 1.0 CA A:ALA110 3.8 20.6 1.0 CG A:ASN113 3.9 21.3 1.0 CB A:ALA110 4.2 20.3 1.0 N A:ALA110 4.2 21.6 1.0 O A:VAL109 4.3 19.7 1.0 CD A:ARG114 4.3 19.6 1.0 CG1 A:VAL109 4.4 27.5 1.0 C A:VAL109 4.4 21.1 1.0 CG A:ARG114 4.5 22.0 1.0 C A:ALA110 4.9 17.9 1.0 O A:ALA110 4.9 19.4 1.0 CA A:ASN113 5.0 19.4 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.