Ruthenium in PDB 8rny: Hen Egg White Lysozyme Soaked with with [H2IND][Trans-RUCL4(Dmso) (Hind)]

All present enzymatic activity of Hen Egg White Lysozyme Soaked with with [H2IND][Trans-RUCL4(Dmso) (Hind)]:
3.2.1.17;

The structure of Hen Egg White Lysozyme Soaked with with [H2IND][Trans-RUCL4(Dmso) (Hind)], PDB code: 8rny 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)	19.13 / 1.02
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.883, 78.883, 37.026, 90, 90, 90
R / Rfree (%)	12.9 / 14.4

The structure of Hen Egg White Lysozyme Soaked with with [H2IND][Trans-RUCL4(Dmso) (Hind)] also contains other interesting chemical elements:

Chlorine	(Cl)	8 atoms
Sodium	(Na)	3 atoms

The binding sites of Ruthenium atom in the Hen Egg White Lysozyme Soaked with with [H2IND][Trans-RUCL4(Dmso) (Hind)] (pdb code 8rny). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Hen Egg White Lysozyme Soaked with with [H2IND][Trans-RUCL4(Dmso) (Hind)], PDB code: 8rny:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the Hen Egg White Lysozyme Soaked with with [H2IND][Trans-RUCL4(Dmso) (Hind)]


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Hen Egg White Lysozyme Soaked with with [H2IND][Trans-RUCL4(Dmso) (Hind)] within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru214 b:26.5 occ:0.17 O A:HOH446 2.2 47.1 1.0 O A:HOH460 2.3 41.5 1.0 OD1 A:ASP101 2.7 29.6 1.0 O A:HOH422 3.4 51.1 1.0 O A:HOH423 3.5 57.4 1.0 CG A:ASP101 3.8 26.3 1.0 O A:HOH393 3.8 40.4 1.0 O A:HOH339 4.2 28.0 1.0 O A:ASP101 4.4 20.7 1.0 OD2 A:ASP101 4.5 29.5 1.0 CA A:ASP101 4.5 17.3 1.0 CB A:ASP101 4.7 18.9 1.0 RU A:RU215 4.9 35.3 0.3 C A:ASP101 5.0 17.7 1.0

Ruthenium binding site 2 out of 2 in the Hen Egg White Lysozyme Soaked with with [H2IND][Trans-RUCL4(Dmso) (Hind)]


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Hen Egg White Lysozyme Soaked with with [H2IND][Trans-RUCL4(Dmso) (Hind)] within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru215 b:35.3 occ:0.31 O A:HOH360 2.2 48.2 1.0 OD2 A:ASP101 2.2 29.5 1.0 O A:HOH449 2.2 59.1 1.0 O A:HOH411 2.4 41.6 1.0 O A:HOH393 2.4 40.4 1.0 O A:HOH422 2.6 51.1 1.0 CG A:ASP101 3.2 26.3 1.0 OD1 A:ASP101 3.5 29.6 1.0 O A:ASP101 4.4 20.7 1.0 CB A:ASP101 4.5 18.9 1.0 RU A:RU214 4.9 26.5 0.2

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.