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Samarium in PDB 4zhh: Siderocalin-Mediated Recognition and Cellular Uptake of Actinides

Protein crystallography data

The structure of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides, PDB code: 4zhh 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 / 2.04
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 110.683, 115.320, 120.517, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 19.9

Other elements in 4zhh:

The structure of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms

Samarium Binding Sites:

The binding sites of Samarium atom in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides (pdb code 4zhh). This binding sites where shown within 5.0 Angstroms radius around Samarium atom.
In total 6 binding sites of Samarium where determined in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides, PDB code: 4zhh:
Jump to Samarium binding site number: 1; 2; 3; 4; 5; 6;

Samarium binding site 1 out of 6 in 4zhh

Go back to Samarium Binding Sites List in 4zhh
Samarium binding site 1 out of 6 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm 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:Sm201

b:23.6
occ:1.00
 O10 A:4OL202 2.0 21.2 1.0
O48 A:4OL202 2.1 24.6 1.0
O50 A:4OL202 2.3 34.2 1.0
O51 A:4OL202 2.4 32.9 1.0
O46 A:4OL202 2.4 24.5 1.0
O47 A:4OL202 2.5 18.4 1.0
O49 A:4OL202 2.5 20.8 1.0
O9 A:4OL202 2.5 20.0 1.0
N3 A:4OL202 3.0 19.6 1.0
N27 A:4OL202 3.1 22.0 1.0
C4 A:4OL202 3.1 16.7 1.0
C26 A:4OL202 3.2 23.3 1.0
N45 A:4OL202 3.2 30.3 1.0
C44 A:4OL202 3.2 33.2 1.0
N35 A:4OL202 3.2 18.6 1.0
C36 A:4OL202 3.2 20.2 1.0
O A:HOH372 4.0 40.0 1.0
O A:HOH339 4.0 19.9 1.0
C2 A:4OL202 4.3 20.3 1.0
C22 A:4OL202 4.4 23.9 1.0
C5 A:4OL202 4.5 20.8 1.0
OH A:TYR106 4.5 21.6 1.0
C37 A:4OL202 4.5 17.7 1.0
C43 A:4OL202 4.5 34.6 1.0
C40 A:4OL202 4.5 31.3 1.0
C25 A:4OL202 4.6 28.8 1.0
C34 A:4OL202 4.6 19.8 1.0
NZ A:LYS125 4.6 30.7 1.0
NZ A:LYS134 4.6 22.8 1.0
N9 A:4OL202 4.7 23.0 1.0
C29 A:4OL202 4.8 23.0 1.0
C14 A:4OL202 4.8 27.7 1.0
CZ3 A:TRP79 4.8 22.4 1.0
N32 A:4OL202 4.9 32.8 1.0
C1 A:4OL202 4.9 24.5 1.0
CH2 A:TRP79 5.0 26.3 1.0

Samarium binding site 2 out of 6 in 4zhh

Go back to Samarium Binding Sites List in 4zhh
Samarium binding site 2 out of 6 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm 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:Sm201

b:21.0
occ:1.00
 O10 B:4OL202 1.9 18.6 1.0
O48 B:4OL202 2.2 22.8 1.0
O50 B:4OL202 2.3 26.9 1.0
O51 B:4OL202 2.4 23.1 1.0
O47 B:4OL202 2.4 18.4 1.0
O46 B:4OL202 2.4 21.9 1.0
O49 B:4OL202 2.5 18.9 1.0
O9 B:4OL202 2.5 19.5 1.0
N3 B:4OL202 2.9 18.6 1.0
C4 B:4OL202 3.1 18.2 1.0
N27 B:4OL202 3.1 22.9 1.0
C36 B:4OL202 3.2 17.7 1.0
N35 B:4OL202 3.2 14.7 1.0
C26 B:4OL202 3.2 22.0 1.0
N45 B:4OL202 3.2 24.2 1.0
C44 B:4OL202 3.2 25.3 1.0
O B:HOH340 4.0 20.4 1.0
O B:HOH319 4.1 32.7 1.0
C2 B:4OL202 4.2 19.1 1.0
C5 B:4OL202 4.4 23.9 1.0
OH B:TYR106 4.5 22.5 1.0
C22 B:4OL202 4.5 23.4 1.0
NZ B:LYS125 4.5 27.9 1.0
C37 B:4OL202 4.5 16.9 1.0
C25 B:4OL202 4.5 27.0 1.0
NZ B:LYS134 4.5 20.2 1.0
C43 B:4OL202 4.5 25.5 1.0
C40 B:4OL202 4.5 27.3 1.0
C34 B:4OL202 4.6 14.5 1.0
N9 B:4OL202 4.6 25.5 1.0
N32 B:4OL202 4.8 25.4 1.0
C1 B:4OL202 4.8 26.3 1.0
C29 B:4OL202 4.9 21.6 1.0
C14 B:4OL202 4.9 23.4 1.0
CZ3 B:TRP79 4.9 19.1 1.0

Samarium binding site 3 out of 6 in 4zhh

Go back to Samarium Binding Sites List in 4zhh
Samarium binding site 3 out of 6 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm 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:Sm201

b:20.1
occ:1.00
 O10 C:4OL202 2.1 19.2 1.0
O51 C:4OL202 2.2 23.5 1.0
O50 C:4OL202 2.3 23.0 1.0
O47 C:4OL202 2.4 14.9 1.0
O48 C:4OL202 2.4 26.2 1.0
O46 C:4OL202 2.4 23.7 1.0
O9 C:4OL202 2.5 16.2 1.0
O49 C:4OL202 2.5 25.4 1.0
N3 C:4OL202 3.0 17.0 1.0
C44 C:4OL202 3.1 24.0 1.0
C4 C:4OL202 3.1 14.7 1.0
C36 C:4OL202 3.2 17.7 1.0
N27 C:4OL202 3.2 23.8 1.0
N45 C:4OL202 3.2 20.1 1.0
C26 C:4OL202 3.2 22.1 1.0
N35 C:4OL202 3.2 18.3 1.0
O C:HOH301 3.7 44.8 1.0
O C:HOH342 4.0 16.1 1.0
C2 C:4OL202 4.3 16.9 1.0
C43 C:4OL202 4.4 25.9 1.0
C5 C:4OL202 4.5 15.2 1.0
C22 C:4OL202 4.5 24.8 1.0
C37 C:4OL202 4.5 18.4 1.0
OH C:TYR106 4.5 19.2 1.0
NZ C:LYS134 4.5 15.7 1.0
C40 C:4OL202 4.5 27.1 1.0
C25 C:4OL202 4.5 24.0 1.0
NZ C:LYS125 4.6 25.2 1.0
C34 C:4OL202 4.6 20.9 1.0
N9 C:4OL202 4.7 19.6 1.0
C14 C:4OL202 4.8 24.8 1.0
C29 C:4OL202 4.8 18.5 1.0
N32 C:4OL202 4.8 22.2 1.0
CZ3 C:TRP79 4.9 17.6 1.0
C1 C:4OL202 5.0 22.3 1.0

Samarium binding site 4 out of 6 in 4zhh

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Samarium binding site 4 out of 6 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 4 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Sm201

b:27.0
occ:1.00
 O48 D:4OL202 2.0 27.8 1.0
O51 D:4OL202 2.2 29.5 1.0
O10 D:4OL202 2.2 23.5 1.0
O50 D:4OL202 2.3 39.6 1.0
O46 D:4OL202 2.4 27.9 1.0
O9 D:4OL202 2.4 25.9 1.0
O47 D:4OL202 2.5 25.1 1.0
O49 D:4OL202 2.5 22.1 1.0
N3 D:4OL202 2.9 19.5 1.0
C4 D:4OL202 3.0 22.8 1.0
C44 D:4OL202 3.1 31.4 1.0
N27 D:4OL202 3.1 29.2 1.0
N45 D:4OL202 3.1 28.5 1.0
N35 D:4OL202 3.1 23.8 1.0
C36 D:4OL202 3.2 20.3 1.0
C26 D:4OL202 3.2 26.4 1.0
O D:HOH338 3.9 41.0 1.0
O D:HOH319 4.0 21.0 1.0
C2 D:4OL202 4.2 24.8 1.0
C5 D:4OL202 4.3 25.8 1.0
C43 D:4OL202 4.4 36.1 1.0
C22 D:4OL202 4.4 27.9 1.0
OH D:TYR106 4.4 23.3 1.0
NZ D:LYS134 4.5 22.1 1.0
C34 D:4OL202 4.5 24.8 1.0
C40 D:4OL202 4.5 35.1 1.0
C37 D:4OL202 4.5 22.3 1.0
NZ D:LYS125 4.6 31.8 1.0
C25 D:4OL202 4.6 29.3 1.0
C14 D:4OL202 4.7 32.9 1.0
N9 D:4OL202 4.7 25.9 1.0
C29 D:4OL202 4.7 26.4 1.0
CZ3 D:TRP79 4.8 26.9 1.0
N32 D:4OL202 4.8 31.0 1.0
C1 D:4OL202 4.9 28.6 1.0

Samarium binding site 5 out of 6 in 4zhh

Go back to Samarium Binding Sites List in 4zhh
Samarium binding site 5 out of 6 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 5 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Sm201

b:24.3
occ:1.00
 O50 E:4OL202 2.1 31.9 1.0
O10 E:4OL202 2.1 29.1 1.0
O49 E:4OL202 2.3 26.2 1.0
O51 E:4OL202 2.4 22.6 1.0
O46 E:4OL202 2.4 25.6 1.0
O47 E:4OL202 2.4 22.7 1.0
O48 E:4OL202 2.5 29.9 1.0
O9 E:4OL202 2.5 17.1 1.0
N3 E:4OL202 3.0 19.2 1.0
C4 E:4OL202 3.1 19.6 1.0
N45 E:4OL202 3.1 26.7 1.0
C44 E:4OL202 3.1 28.2 1.0
C26 E:4OL202 3.1 27.3 1.0
C36 E:4OL202 3.2 19.2 1.0
N27 E:4OL202 3.2 23.5 1.0
N35 E:4OL202 3.2 20.1 1.0
O E:HOH321 4.1 24.6 1.0
C2 E:4OL202 4.3 24.0 1.0
C5 E:4OL202 4.4 19.1 1.0
C25 E:4OL202 4.4 32.4 1.0
C40 E:4OL202 4.5 31.2 1.0
C43 E:4OL202 4.5 29.5 1.0
OH E:TYR106 4.5 20.9 1.0
NZ E:LYS125 4.5 31.0 1.0
C37 E:4OL202 4.5 16.3 1.0
C22 E:4OL202 4.5 29.8 1.0
C34 E:4OL202 4.6 19.6 1.0
NZ E:LYS134 4.6 23.0 1.0
N9 E:4OL202 4.7 26.7 1.0
N32 E:4OL202 4.8 32.2 1.0
C29 E:4OL202 4.8 24.9 1.0
CZ3 E:TRP79 4.9 25.0 1.0
C14 E:4OL202 4.9 30.1 1.0
C1 E:4OL202 4.9 27.7 1.0

Samarium binding site 6 out of 6 in 4zhh

Go back to Samarium Binding Sites List in 4zhh
Samarium binding site 6 out of 6 in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 6 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Sm201

b:23.0
occ:1.00
 O10 F:4OL202 1.9 22.1 1.0
O50 F:4OL202 2.1 26.6 1.0
O48 F:4OL202 2.3 32.1 1.0
O9 F:4OL202 2.4 15.2 1.0
O51 F:4OL202 2.5 21.0 1.0
O47 F:4OL202 2.5 28.7 1.0
O49 F:4OL202 2.5 22.2 1.0
O46 F:4OL202 2.6 25.3 1.0
N3 F:4OL202 2.9 25.6 1.0
C4 F:4OL202 3.0 19.7 1.0
N45 F:4OL202 3.1 29.2 1.0
N27 F:4OL202 3.2 29.8 1.0
C44 F:4OL202 3.2 25.1 1.0
C26 F:4OL202 3.2 27.3 1.0
C36 F:4OL202 3.3 26.0 1.0
N35 F:4OL202 3.3 24.8 1.0
O F:HOH303 4.0 41.5 1.0
O F:HOH314 4.1 21.5 1.0
C2 F:4OL202 4.2 20.7 1.0
C5 F:4OL202 4.4 20.0 1.0
C40 F:4OL202 4.5 26.2 1.0
OH F:TYR106 4.5 22.6 1.0
C22 F:4OL202 4.5 28.6 1.0
C25 F:4OL202 4.6 27.2 1.0
C43 F:4OL202 4.6 23.7 1.0
NZ F:LYS134 4.6 21.2 1.0
NZ F:LYS125 4.6 31.2 1.0
C37 F:4OL202 4.6 24.8 1.0
N9 F:4OL202 4.6 26.8 1.0
C34 F:4OL202 4.7 27.4 1.0
N32 F:4OL202 4.8 28.8 1.0
C29 F:4OL202 4.8 28.9 1.0
C14 F:4OL202 4.8 31.1 1.0
CZ3 F:TRP79 4.9 23.5 1.0
C1 F:4OL202 4.9 28.5 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: Thu Oct 10 13:52:44 2024

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