Lanthanum in PDB 8uyn: 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: 8uyn 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)	47.85 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	116.148, 116.148, 117.562, 90, 90, 90
R / Rfree (%)	20.4 / 22.7

The binding sites of Lanthanum atom in the Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host (pdb code 8uyn). This binding sites where shown within 5.0 Angstroms radius around Lanthanum atom.
In total 3 binding sites of Lanthanum where determined in the Fundamental Characterization of Chelated and Crystallized Actinium in A Macromolecular Host, PDB code: 8uyn:
Jump to Lanthanum binding site number: 1; 2; 3;

Lanthanum 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 Lanthanum with other atoms in the La 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:La300 b:54.3 occ:1.00 O50 A:4OL301 2.3 51.0 1.0 O49 A:4OL301 2.6 44.9 1.0 O10 A:4OL301 2.6 64.4 1.0 O9 A:4OL301 2.6 64.0 1.0 O51 A:4OL301 2.7 44.7 1.0 O48 A:4OL301 2.7 47.6 1.0 O46 A:4OL301 2.7 59.1 1.0 O47 A:4OL301 2.8 53.7 1.0 N45 A:4OL301 3.1 45.2 1.0 C44 A:4OL301 3.3 44.2 1.0 C26 A:4OL301 3.4 47.5 1.0 C4 A:4OL301 3.4 65.9 1.0 N27 A:4OL301 3.4 48.0 1.0 N3 A:4OL301 3.4 66.0 1.0 N35 A:4OL301 3.5 57.0 1.0 C36 A:4OL301 3.5 57.0 1.0 O A:HOH417 4.0 51.6 1.0 NZ A:LYS134 4.3 33.6 1.0 C40 A:4OL301 4.4 46.1 1.0 N32 A:4OL301 4.5 51.7 1.0 NZ A:LYS125 4.5 47.5 1.0 C43 A:4OL301 4.6 42.5 1.0 C5 A:4OL301 4.7 67.1 1.0 CZ3 A:TRP79 4.7 45.6 1.0 C25 A:4OL301 4.7 44.5 1.0 C22 A:4OL301 4.8 46.4 1.0 C2 A:4OL301 4.8 66.7 1.0 C34 A:4OL301 4.8 57.9 1.0 OH A:TYR106 4.8 37.1 1.0 C37 A:4OL301 4.8 55.5 1.0 CH2 A:TRP79 4.9 46.8 1.0 C33 A:4OL301 4.9 49.5 1.0 C14 A:4OL301 4.9 51.3 1.0 C29 A:4OL301 4.9 54.2 1.0 CE A:LYS125 5.0 45.8 1.0

Lanthanum 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 Lanthanum with other atoms in the La 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:La201 b:46.7 occ:1.00 O50 B:4OL202 2.4 46.0 1.0 O46 B:4OL202 2.4 52.5 1.0 O9 B:4OL202 2.4 52.6 1.0 O48 B:4OL202 2.5 38.5 1.0 O10 B:4OL202 2.5 55.5 1.0 O49 B:4OL202 2.6 38.8 1.0 O51 B:4OL202 2.7 41.5 1.0 O47 B:4OL202 2.8 49.6 1.0 C4 B:4OL202 3.3 54.1 1.0 N27 B:4OL202 3.3 39.3 1.0 N45 B:4OL202 3.3 41.1 1.0 C26 B:4OL202 3.3 39.1 1.0 N3 B:4OL202 3.4 53.5 1.0 C44 B:4OL202 3.4 42.2 1.0 N35 B:4OL202 3.4 52.2 1.0 C36 B:4OL202 3.5 51.2 1.0 NZ B:LYS125 4.4 47.7 1.0 NZ B:LYS134 4.5 32.5 1.0 C5 B:4OL202 4.6 55.0 1.0 C40 B:4OL202 4.6 42.7 1.0 C22 B:4OL202 4.6 38.9 1.0 C34 B:4OL202 4.7 52.4 1.0 C43 B:4OL202 4.7 41.8 1.0 C25 B:4OL202 4.7 38.6 1.0 C2 B:4OL202 4.7 53.2 1.0 N32 B:4OL202 4.8 46.7 1.0 C14 B:4OL202 4.8 42.7 1.0 C29 B:4OL202 4.8 47.7 1.0 C37 B:4OL202 4.8 50.2 1.0 N9 B:4OL202 5.0 47.7 1.0 CE B:LYS125 5.0 44.4 1.0 OH B:TYR106 5.0 45.6 1.0

Lanthanum 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 Lanthanum with other atoms in the La 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:La202 b:39.6 occ:1.00 O50 C:4OL203 2.1 44.4 1.0 O10 C:4OL203 2.3 42.3 1.0 O46 C:4OL203 2.4 45.9 1.0 O9 C:4OL203 2.4 40.8 1.0 O48 C:4OL203 2.6 32.6 1.0 O51 C:4OL203 2.6 35.9 1.0 O49 C:4OL203 2.6 32.6 1.0 O47 C:4OL203 2.6 42.9 1.0 N45 C:4OL203 3.0 38.0 1.0 C44 C:4OL203 3.2 35.5 1.0 C4 C:4OL203 3.2 40.8 1.0 N3 C:4OL203 3.3 41.0 1.0 N35 C:4OL203 3.3 44.5 1.0 N27 C:4OL203 3.3 30.7 1.0 C26 C:4OL203 3.3 31.2 1.0 C36 C:4OL203 3.4 44.2 1.0 O C:HOH330 4.0 34.6 1.0 C40 C:4OL203 4.3 38.6 1.0 NZ C:LYS125 4.5 37.6 1.0 N32 C:4OL203 4.5 41.8 1.0 NZ C:LYS134 4.5 29.0 1.0 C43 C:4OL203 4.6 35.6 1.0 C5 C:4OL203 4.6 41.6 1.0 C34 C:4OL203 4.6 44.7 1.0 C2 C:4OL203 4.6 42.7 1.0 C22 C:4OL203 4.7 31.8 1.0 C25 C:4OL203 4.7 30.4 1.0 C37 C:4OL203 4.7 44.5 1.0 C33 C:4OL203 4.7 42.6 1.0 N9 C:4OL203 4.9 41.8 1.0 C14 C:4OL203 4.9 37.3 1.0 OH C:TYR106 4.9 33.2 1.0 C29 C:4OL203 4.9 42.1 1.0 CE C:LYS125 5.0 35.6 1.0 CZ3 C:TRP79 5.0 30.5 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