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Thorium in PDB 4zfx: Siderocalin-Mediated Recognition and Cellular Uptake of Actinides

Protein crystallography data

The structure of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides, PDB code: 4zfx was solved by B.E.Allred, P.B.Rupert, S.S.Gauny, D.D.An, C.Y.Ralston, M.Sturzbecher-Hoehne, R.K.Strong, R.J.Abergel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.55
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.530, 114.530, 119.496, 90.00, 90.00, 90.00
R / Rfree (%) 24 / 26.8

Thorium Binding Sites:

The binding sites of Thorium atom in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides (pdb code 4zfx). This binding sites where shown within 5.0 Angstroms radius around Thorium atom.
In total 3 binding sites of Thorium where determined in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides, PDB code: 4zfx:
Jump to Thorium binding site number: 1; 2; 3;

Thorium binding site 1 out of 3 in 4zfx

Go back to Thorium Binding Sites List in 4zfx
Thorium binding site 1 out of 3 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Thorium with other atoms in the Th binding site number 1 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Th201

b:60.7
occ:1.00
O6 A:EB4202 2.7 39.4 1.0
O3 A:EB4202 2.7 53.7 1.0
C6 A:EB4202 3.5 41.8 1.0
C3 A:EB4202 3.5 45.7 1.0
NZ A:LYS134 4.2 33.8 1.0
OH A:TYR106 4.4 34.9 1.0
NZ A:LYS125 4.7 48.7 1.0
C9 A:EB4202 4.8 43.2 1.0
C18 A:EB4202 4.8 50.0 1.0

Thorium binding site 2 out of 3 in 4zfx

Go back to Thorium Binding Sites List in 4zfx
Thorium binding site 2 out of 3 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Thorium with other atoms in the Th binding site number 2 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Th200

b:85.8
occ:1.00
NH1 B:ARG81 3.5 91.7 1.0
NZ B:LYS125 4.2 85.1 1.0
NH2 B:ARG81 4.3 86.9 1.0
CZ B:ARG81 4.3 89.4 1.0
OH B:TYR106 4.5 67.6 1.0
CE2 B:TYR106 4.8 68.9 1.0
CE B:LYS125 4.9 83.2 1.0

Thorium binding site 3 out of 3 in 4zfx

Go back to Thorium Binding Sites List in 4zfx
Thorium binding site 3 out of 3 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Thorium with other atoms in the Th binding site number 3 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Th201

b:51.2
occ:1.00
O2 C:EB4202 2.6 43.1 1.0
O5 C:EB4202 3.0 24.9 1.0
C2 C:EB4202 3.4 31.5 1.0
C5 C:EB4202 3.6 31.0 1.0
NZ C:LYS134 4.0 34.8 1.0
OH C:TYR106 4.6 29.0 1.0
N2 C:EB4202 4.7 46.9 1.0
C17 C:EB4202 4.7 38.5 1.0
NZ C:LYS125 4.8 38.4 1.0
C8 C:EB4202 4.9 34.5 1.0
O13 C:EB4202 5.0 54.0 1.0

Reference:

B.E.Allred, P.B.Rupert, S.S.Gauny, D.D.An, C.Y.Ralston, M.Sturzbecher-Hoehne, R.K.Strong, R.J.Abergel. Siderocalin-Mediated Recognition, Sensitization, and Cellular Uptake of Actinides. Proc.Natl.Acad.Sci.Usa V. 112 10342 2015.
ISSN: ESSN 1091-6490
PubMed: 26240330
DOI: 10.1073/PNAS.1508902112
Page generated: Wed Dec 16 02:28:18 2020

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