Fluorine in PDB 8pfx: X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(D-P-Fphf)(CO3)3] in Condition B

All present enzymatic activity of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(D-P-Fphf)(CO3)3] in Condition B:
3.2.1.17;

The structure of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(D-P-Fphf)(CO3)3] in Condition B, PDB code: 8pfx was solved by A.Teran, G.Ferraro, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.36 / 1.03
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.72, 76.72, 38.39, 90, 90, 90
R / Rfree (%)	19.2 / 21.4

The structure of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(D-P-Fphf)(CO3)3] in Condition B also contains other interesting chemical elements:

Ruthenium	(Ru)	6 atoms
Sodium	(Na)	1 atom

The binding sites of Fluorine atom in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(D-P-Fphf)(CO3)3] in Condition B (pdb code 8pfx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(D-P-Fphf)(CO3)3] in Condition B, PDB code: 8pfx:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(D-P-Fphf)(CO3)3] in Condition B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(D-P-Fphf)(CO3)3] in Condition B within 5.0Å range: probe atom residue distance (Å) B Occ A:F205 b:19.6 occ:0.35 F1 A:YJT205 0.0 19.6 0.3 C5 A:YJT205 1.3 20.6 0.3 C4 A:YJT205 2.3 20.1 0.3 C6 A:YJT205 2.3 20.5 0.3 C3 A:YJT205 3.6 19.2 0.3 C7 A:YJT205 3.6 18.6 0.3 RU1 A:YJT206 4.1 15.5 0.2 C2 A:YJT205 4.1 18.7 0.3

Fluorine binding site 2 out of 2 in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(D-P-Fphf)(CO3)3] in Condition B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(D-P-Fphf)(CO3)3] in Condition B within 5.0Å range: probe atom residue distance (Å) B Occ A:F205 b:25.3 occ:0.35 F2 A:YJT205 0.0 25.3 0.3 C11 A:YJT205 1.4 22.5 0.3 C10 A:YJT205 2.3 20.7 0.3 C12 A:YJT205 2.4 21.6 0.3 NH1 A:ARG73 2.8 39.1 1.0 C9 A:YJT205 3.6 20.8 0.3 C13 A:YJT205 3.6 20.8 0.3 CZ A:ARG73 4.1 37.0 1.0 C8 A:YJT205 4.1 19.4 0.3 NH2 A:ARG73 4.7 40.9 1.0

S.Herrero Dominguez, A.Teran, G.Ferraro, A.E.Sanchez-Pelaez, A.Merlino. Charge Effect in Protein Metalation Reactions By Diruthenium Complexes Inorg Chem Front 2023.
DOI: 10.1039/D3QI01192E