Chlorine in PDB 8uz9: Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host

The structure of Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host, PDB code: 8uz9 was solved by P.B.Rupert, R.K.Strong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.12 / 2.08
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.855, 114.855, 119.273, 90, 90, 90
R / Rfree (%)	22.5 / 25.5

The structure of Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host also contains other interesting chemical elements:

Actinium

(Ac)

3 atoms

The binding sites of Chlorine atom in the Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host (pdb code 8uz9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host, PDB code: 8uz9:

Chlorine binding site 1 out of 1 in the Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl205 b:61.1 occ:1.00 OG1 C:THR54 3.0 42.3 1.0 OH C:TYR138 3.0 46.3 1.0 NH2 C:ARG81 3.7 63.1 1.0 CB C:THR54 3.8 43.0 1.0 C37 C:4OL202 3.8 72.4 1.0 CZ C:TYR138 3.8 47.4 1.0 CE1 C:TYR138 3.8 46.1 1.0 CG2 C:THR54 3.9 44.8 1.0 CE2 C:TYR52 4.0 49.0 1.0 C38 C:4OL202 4.0 78.5 1.0 OG C:SER68 4.1 48.1 1.0 OH C:TYR52 4.4 56.8 1.0 CG2 C:VAL33 4.4 42.9 1.0 CZ C:PHE123 4.6 38.7 1.0 CZ C:TYR52 4.7 50.1 1.0 CG2 C:THR136 4.9 42.7 1.0 CD2 C:TYR52 4.9 44.7 1.0 C36 C:4OL202 4.9 72.5 1.0 OH C:TYR56 4.9 43.3 1.0 CZ C:ARG81 4.9 69.3 1.0

J.N.Wacker, J.J.Woods, P.B.Rupert, A.Peterson, M.Allaire, W.W.Lukens, A.N.Gaiser, S.G.Minasian, R.K.Strong, R.J.Abergel. Actinium Chelation and Crystallization in A Macromolecular Scaffold. Nat Commun V. 15 5741 2024.
ISSN: ESSN 2041-1723
PubMed: 39009580
DOI: 10.1038/S41467-024-50017-5