Chlorine in PDB 5kic: Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series

The structure of Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series, PDB code: 5kic 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)	50.00 / 2.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	119.574, 119.574, 108.839, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.2

The structure of Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series also contains other interesting chemical elements:

Californium

(Cf)

3 atoms

The binding sites of Chlorine atom in the Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series (pdb code 5kic). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series, PDB code: 5kic:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:65.7 occ:1.00 OH A:TYR138 3.0 49.1 1.0 OG1 A:THR54 3.5 41.6 1.0 C37 A:4OL202 3.7 89.8 1.0 NH1 A:ARG81 3.8 64.8 1.0 OH A:TYR52 3.8 46.0 1.0 CE2 A:TYR52 4.0 45.4 1.0 CZ A:TYR138 4.0 46.3 1.0 CE1 A:TYR138 4.0 45.3 1.0 C38 A:4OL202 4.1 92.5 1.0 CZ A:PHE123 4.3 34.8 1.0 CB A:THR54 4.4 41.9 1.0 CZ A:TYR52 4.4 47.4 1.0 CG2 A:THR54 4.4 43.3 1.0 NZ A:LYS134 4.4 52.6 1.0 OG A:SER68 4.5 50.2 1.0 CG2 A:VAL33 4.5 42.7 1.0 OG1 A:THR136 4.5 48.1 1.0 C36 A:4OL202 4.6 90.7 1.0 CE1 A:PHE123 4.7 36.9 1.0 CG2 A:THR136 4.7 49.2 1.0 O47 A:4OL202 4.8 93.7 1.0 CE A:LYS134 4.9 48.9 1.0 CE2 A:PHE123 5.0 36.6 1.0

Chlorine binding site 2 out of 3 in the Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:68.2 occ:1.00 OH B:TYR138 2.9 53.4 1.0 OG1 B:THR54 3.2 56.5 1.0 NH2 B:ARG81 3.8 67.7 1.0 C37 B:4OL202 3.8 93.7 1.0 CZ B:TYR138 3.8 52.9 1.0 CE1 B:TYR52 3.9 60.5 1.0 CE1 B:TYR138 3.9 53.1 1.0 OH B:TYR52 3.9 63.5 1.0 CB B:THR54 4.0 57.4 1.0 CG2 B:THR54 4.1 56.9 1.0 OG B:SER68 4.2 55.7 1.0 C38 B:4OL202 4.3 99.0 1.0 CG2 B:VAL33 4.4 52.0 1.0 CZ B:TYR52 4.4 61.8 1.0 CZ B:PHE123 4.5 52.0 1.0 C36 B:4OL202 4.7 96.0 1.0 OG1 B:THR136 4.7 58.3 1.0 NZ B:LYS134 4.7 67.9 1.0 O47 B:4OL202 4.8 90.0 1.0 CG2 B:THR136 4.8 56.9 1.0 CE1 B:PHE123 4.9 50.2 1.0 CD1 B:TYR52 5.0 61.6 1.0

Chlorine binding site 3 out of 3 in the Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Long-Sought Stabilization of Berkelium(IV) in Solution: An Anomaly Within the Heavy Actinide Series within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:56.3 occ:1.00 OH C:TYR138 3.0 40.5 1.0 OG1 C:THR54 3.5 43.0 1.0 C37 C:4OL202 3.7 87.2 1.0 NH2 C:ARG81 3.8 62.7 1.0 OH C:TYR52 3.9 46.1 1.0 CZ C:TYR138 4.0 40.5 1.0 CE2 C:TYR52 4.0 45.1 1.0 CE1 C:TYR138 4.1 41.8 1.0 C38 C:4OL202 4.2 91.0 1.0 CZ C:PHE123 4.3 38.4 1.0 CB C:THR54 4.3 42.7 1.0 CG2 C:THR54 4.4 43.4 1.0 OG C:SER68 4.4 41.4 1.0 CZ C:TYR52 4.4 46.0 1.0 NZ C:LYS134 4.5 52.2 1.0 CG2 C:VAL33 4.5 43.0 1.0 C36 C:4OL202 4.5 85.8 1.0 OG1 C:THR136 4.5 48.1 1.0 O47 C:4OL202 4.6 88.6 1.0 CE1 C:PHE123 4.7 38.7 1.0 CG2 C:THR136 4.8 52.7 1.0 CE2 C:PHE123 4.9 38.7 1.0 CE C:LYS134 4.9 47.0 1.0

G.J.Deblonde, M.Sturzbecher-Hoehne, P.B.Rupert, D.D.An, M.C.Illy, C.Y.Ralston, J.Brabec, W.A.De Jong, R.K.Strong, R.J.Abergel. Chelation and Stabilization of Berkelium in Oxidation State +IV. Nat Chem V. 9 843 2017.
ISSN: ESSN 1755-4349
PubMed: 28837177
DOI: 10.1038/NCHEM.2759