Actinium 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:

Chlorine

(Cl)

1 atom

The binding sites of Actinium 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 Actinium atom.
In total 3 binding sites of Actinium where determined in the Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host, PDB code: 8uz9:
Jump to Actinium binding site number: 1; 2; 3;

Actinium binding site 1 out of 3 in the Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host


Mono view


Stereo pair view

A full contact list of Actinium with other atoms in the Ac 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 A:Ac200 b:178.0 occ:1.00 O10 A:4OL201 2.7 101.8 1.0 O9 A:4OL201 3.2 83.4 1.0 N3 A:4OL201 3.7 88.4 1.0 OH A:TYR106 3.8 58.2 1.0 C4 A:4OL201 3.8 78.4 1.0 NZ A:LYS134 3.8 73.3 1.0 NZ A:LYS125 4.0 70.6 1.0 CE2 A:TYR106 4.2 55.6 1.0 C14 A:4OL201 4.3 97.6 1.0 NH2 A:ARG81 4.4 85.7 1.0 CZ A:TYR106 4.5 56.3 1.0 CE A:LYS134 4.9 69.1 1.0

Actinium binding site 2 out of 3 in the Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host


Mono view


Stereo pair view

A full contact list of Actinium with other atoms in the Ac binding site number 2 of Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host within 5.0Å range: probe atom residue distance (Å) B Occ B:Ac200 b:206.7 occ:1.00 O10 B:4OL201 2.3 131.5 1.0 O9 B:4OL201 3.2 125.9 1.0 N3 B:4OL201 3.4 120.8 1.0 C4 B:4OL201 3.7 125.3 1.0 NZ B:LYS134 4.1 95.6 1.0 NZ B:LYS125 4.4 96.1 1.0 OH B:TYR106 4.5 88.5 1.0 C2 B:4OL201 4.7 114.7 1.0 CE B:LYS125 4.8 94.6 1.0 CE B:LYS134 5.0 100.0 1.0

Actinium binding site 3 out of 3 in the Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host


Mono view


Stereo pair view

A full contact list of Actinium with other atoms in the Ac binding site number 3 of Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host within 5.0Å range: probe atom residue distance (Å) B Occ C:Ac201 b:130.6 occ:1.00 O10 C:4OL202 2.5 85.5 1.0 O9 C:4OL202 2.7 72.6 1.0 O47 C:4OL202 2.8 71.0 1.0 O46 C:4OL202 2.9 77.8 1.0 N3 C:4OL202 3.2 67.5 1.0 C4 C:4OL202 3.3 64.4 1.0 O48 C:4OL202 3.3 81.9 1.0 NZ C:LYS125 3.4 69.5 1.0 O50 C:4OL202 3.4 123.0 1.0 C36 C:4OL202 3.5 72.5 1.0 N35 C:4OL202 3.6 68.6 1.0 NZ C:LYS134 3.8 62.3 1.0 N45 C:4OL202 4.2 133.9 1.0 O51 C:4OL202 4.3 122.9 1.0 C2 C:4OL202 4.5 67.2 1.0 N9 C:4OL202 4.5 85.3 1.0 C44 C:4OL202 4.6 135.1 1.0 CE C:LYS125 4.6 62.1 1.0 C5 C:4OL202 4.6 58.6 1.0 N27 C:4OL202 4.6 105.0 1.0 O49 C:4OL202 4.7 108.8 1.0 C37 C:4OL202 4.9 72.4 1.0 C34 C:4OL202 4.9 83.7 1.0 OH C:TYR106 5.0 55.3 1.0 N32 C:4OL202 5.0 97.8 1.0 CE C:LYS134 5.0 51.7 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