Ruthenium in PDB 7bcx: The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours.

All present enzymatic activity of The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours.:
3.2.1.17;

The structure of The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours., PDB code: 7bcx was solved by L.Chiniadis, P.Giastas, I.Bratsos, A.Papakyriakou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.07 / 1.06
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.211, 78.211, 37.507, 90, 90, 90
R / Rfree (%)	16.1 / 18.5

The structure of The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours. also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Chlorine	(Cl)	10 atoms

The binding sites of Ruthenium atom in the The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours. (pdb code 7bcx). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 3 binding sites of Ruthenium where determined in the The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours., PDB code: 7bcx:
Jump to Ruthenium binding site number: 1; 2; 3;

Ruthenium binding site 1 out of 3 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours.


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru208 b:28.8 occ:0.72 O A:HOH380 2.1 18.3 0.7 N1 A:IMD206 2.2 28.1 0.7 CL A:CL209 2.3 31.2 0.7 O A:HOH406 2.4 17.5 0.7 CL A:CL210 2.5 24.9 0.7 S A:DMS207 2.6 52.8 0.7 C2 A:IMD206 3.1 27.6 0.7 C5 A:IMD206 3.2 27.9 0.7 CL A:CL202 3.2 76.1 1.0 C2 A:DMS207 3.5 52.8 0.7 O A:DMS207 3.6 52.7 0.7 C1 A:DMS207 3.6 52.9 0.7 O A:HOH301 3.9 50.7 1.0 NZ A:LYS33 4.2 20.1 1.0 N3 A:IMD206 4.2 25.8 0.7 C4 A:IMD206 4.3 27.2 0.7 C4 A:IMD211 4.4 18.0 0.3 CE2 A:PHE38 4.9 16.6 1.0

Ruthenium binding site 2 out of 3 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours.


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru215 b:14.2 occ:0.34 N1 A:IMD211 2.2 17.1 0.3 S A:DMS212 2.3 16.5 0.3 O A:HOH395 2.4 7.8 0.3 CL A:CL214 2.4 16.0 0.3 CL A:CL213 2.4 18.2 0.3 O A:HOH398 2.4 9.2 0.3 C5 A:IMD211 3.1 18.2 0.3 C2 A:IMD211 3.2 17.5 0.3 O A:DMS212 3.2 17.0 0.3 C1 A:DMS212 3.4 16.7 0.3 C2 A:DMS212 3.5 17.2 0.3 C4 A:IMD211 4.3 18.0 0.3 N3 A:IMD211 4.3 18.0 0.3 C4 A:IMD216 4.7 21.0 0.5

Ruthenium binding site 3 out of 3 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours.


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 3 of The Adduct of Nami-A with Hen Egg White Lysozyme at 8 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru220 b:22.7 occ:0.54 N1 A:IMD216 2.1 20.4 0.5 O A:HOH397 2.3 18.0 0.5 O A:HOH396 2.3 15.9 0.5 S A:DMS217 2.4 31.6 0.5 CL A:CL218 2.5 36.3 0.5 CL A:CL219 2.5 26.0 0.5 C2 A:IMD216 3.0 21.4 0.5 C5 A:IMD216 3.2 20.6 0.5 O A:DMS217 3.4 31.5 0.5 C1 A:DMS217 3.4 31.8 0.5 C2 A:DMS217 3.5 31.1 0.5 N3 A:IMD216 4.2 21.5 0.5 C4 A:IMD216 4.3 21.0 0.5 C1 A:DMS207 4.6 52.9 0.7 CA A:GLY4 4.8 20.7 1.0 N A:ARG5 4.9 21.2 1.0

L.Chiniadis, P.Giastas, I.Bratsos, A.Papakyriakou. Insights Into the Protein Ruthenation Mechanism By Antimetastatic Metallodrugs: High-Resolution X-Ray Structures of the Adduct Formed Between Hen Egg-White Lysozyme and Nami-A at Various Time Points. Inorg.Chem. V. 60 10729 2021.
ISSN: ISSN 0020-1669
PubMed: 34197115
DOI: 10.1021/ACS.INORGCHEM.1C01441