Chlorine in PDB 7bd0: The Adduct of Nami-A with Hen Egg White Lysozyme at 26 Hours.

All present enzymatic activity of The Adduct of Nami-A with Hen Egg White Lysozyme at 26 Hours.:
3.2.1.17;

The structure of The Adduct of Nami-A with Hen Egg White Lysozyme at 26 Hours., PDB code: 7bd0 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)	31.09 / 1.06
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.298, 78.298, 37.571, 90, 90, 90
R / Rfree (%)	16.4 / 18.5

The structure of The Adduct of Nami-A with Hen Egg White Lysozyme at 26 Hours. also contains other interesting chemical elements:

Ruthenium	(Ru)	3 atoms
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the The Adduct of Nami-A with Hen Egg White Lysozyme at 26 Hours. (pdb code 7bd0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Adduct of Nami-A with Hen Egg White Lysozyme at 26 Hours., PDB code: 7bd0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 26 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Adduct of Nami-A with Hen Egg White Lysozyme at 26 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:28.6 occ:0.82 RU A:RU207 2.5 30.5 0.8 N1 A:IMD206 3.2 32.9 0.8 O A:HOH357 3.3 21.9 0.8 NZ A:LYS33 3.3 21.0 1.0 C2 A:IMD206 3.4 32.2 0.8 O A:HOH440 3.4 24.7 0.8 O A:HOH403 3.4 14.6 0.8 CE2 A:PHE38 3.5 16.1 1.0 CE A:LYS33 3.9 20.2 1.0 CD A:LYS33 4.0 17.9 1.0 CZ A:PHE38 4.2 15.0 1.0 CB A:ARG5 4.2 22.2 1.0 CD2 A:PHE38 4.3 15.9 1.0 CZ3 A:TRP123 4.4 21.7 1.0 CD A:ARG5 4.4 24.8 1.0 C5 A:IMD206 4.5 32.9 0.8 O A:HOH302 4.6 57.2 1.0 CG A:ARG5 4.7 23.2 1.0 N3 A:IMD206 4.7 31.0 0.8 O A:HOH400 4.9 19.0 0.8 NE A:ARG5 4.9 26.6 1.0

Chlorine binding site 2 out of 2 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 26 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Adduct of Nami-A with Hen Egg White Lysozyme at 26 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:17.4 occ:0.43 RU A:RU210 2.4 15.6 0.4 N1 A:IMD209 3.0 28.3 0.4 O A:HOH430 3.3 10.3 0.4 O A:HOH379 3.4 12.3 0.4 C2 A:IMD209 3.4 28.5 0.4 O A:HOH384 3.4 9.0 0.4 N3 A:IMD212 3.7 22.0 0.6 C4 A:IMD212 3.8 21.6 0.6 O A:HOH316 3.9 42.5 1.0 C5 A:IMD209 4.1 28.9 0.4 O A:VAL2 4.3 17.1 1.0 N3 A:IMD209 4.5 28.3 0.4 O A:HOH394 4.8 10.6 0.4 C4 A:IMD209 4.9 28.7 0.4 O A:HOH364 4.9 27.6 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