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Curium in PDB 4zhf: Siderocalin-Mediated Recognition and Cellular Uptake of Actinides

Protein crystallography data

The structure of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides, PDB code: 4zhf 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 / 2.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 107.676, 117.775, 121.203, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 22.4

Curium Binding Sites:

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

Curium binding site 1 out of 6 in 4zhf

Go back to Curium Binding Sites List in 4zhf
Curium 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 Curium with other atoms in the Cm 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:Cm201

b:41.8
occ:1.00
 O10 A:4OL202 2.3 32.2 1.0
O47 A:4OL202 2.3 34.4 1.0
O48 A:4OL202 2.5 39.5 1.0
O50 A:4OL202 2.5 49.1 1.0
O9 A:4OL202 2.5 30.0 1.0
O46 A:4OL202 2.8 39.7 1.0
O51 A:4OL202 2.8 47.0 1.0
O49 A:4OL202 3.0 32.4 1.0
N3 A:4OL202 3.0 30.5 1.0
C4 A:4OL202 3.1 30.4 1.0
C36 A:4OL202 3.2 35.6 1.0
N35 A:4OL202 3.3 34.4 1.0
N45 A:4OL202 3.4 48.2 1.0
N27 A:4OL202 3.4 38.9 1.0
C44 A:4OL202 3.5 47.3 1.0
C26 A:4OL202 3.6 37.6 1.0
O A:HOH315 4.2 25.0 1.0
C2 A:4OL202 4.3 33.5 1.0
C5 A:4OL202 4.4 30.9 1.0
C37 A:4OL202 4.5 38.0 1.0
NZ A:LYS134 4.5 24.2 1.0
NZ A:LYS125 4.6 40.5 1.0
C14 A:4OL202 4.7 35.6 1.0
N9 A:4OL202 4.7 36.9 1.0
C34 A:4OL202 4.7 35.7 1.0
C29 A:4OL202 4.7 42.4 1.0
CZ3 A:TRP79 4.7 32.7 1.0
C40 A:4OL202 4.7 49.1 1.0
C22 A:4OL202 4.7 41.4 1.0
N32 A:4OL202 4.8 44.5 1.0
C43 A:4OL202 4.8 46.1 1.0
CH2 A:TRP79 4.9 32.8 1.0
OH A:TYR106 4.9 20.7 1.0
C1 A:4OL202 4.9 36.2 1.0
C25 A:4OL202 5.0 40.2 1.0

Curium binding site 2 out of 6 in 4zhf

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Curium 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 Curium with other atoms in the Cm 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:Cm201

b:38.1
occ:1.00
 O48 B:4OL202 2.3 35.5 1.0
O10 B:4OL202 2.3 30.6 1.0
O47 B:4OL202 2.4 28.4 1.0
O9 B:4OL202 2.5 31.5 1.0
O51 B:4OL202 2.6 35.5 1.0
O46 B:4OL202 2.6 33.8 1.0
O50 B:4OL202 2.6 30.7 1.0
O49 B:4OL202 2.8 30.1 1.0
N3 B:4OL202 3.0 27.0 1.0
C4 B:4OL202 3.1 29.7 1.0
C36 B:4OL202 3.2 28.7 1.0
N35 B:4OL202 3.3 29.1 1.0
N27 B:4OL202 3.3 34.2 1.0
C44 B:4OL202 3.4 32.2 1.0
C26 B:4OL202 3.5 33.4 1.0
N45 B:4OL202 3.5 31.5 1.0
O B:HOH332 4.2 20.5 1.0
C2 B:4OL202 4.3 29.7 1.0
C5 B:4OL202 4.4 30.0 1.0
NZ B:LYS134 4.4 25.2 1.0
C37 B:4OL202 4.5 28.6 1.0
N9 B:4OL202 4.5 33.3 1.0
C22 B:4OL202 4.6 37.1 1.0
C34 B:4OL202 4.6 31.3 1.0
C29 B:4OL202 4.7 33.9 1.0
C43 B:4OL202 4.7 32.5 1.0
NZ B:LYS125 4.8 34.1 1.0
C14 B:4OL202 4.8 37.8 1.0
C25 B:4OL202 4.8 35.3 1.0
C40 B:4OL202 4.8 32.2 1.0
C1 B:4OL202 4.9 32.5 1.0
CZ3 B:TRP79 5.0 29.8 1.0
N32 B:4OL202 5.0 34.7 1.0

Curium binding site 3 out of 6 in 4zhf

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Curium 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 Curium with other atoms in the Cm 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:Cm201

b:36.4
occ:1.00
 O48 C:4OL202 2.2 31.2 1.0
O10 C:4OL202 2.3 29.6 1.0
O47 C:4OL202 2.5 30.4 1.0
O51 C:4OL202 2.6 34.4 1.0
O46 C:4OL202 2.6 39.8 1.0
O50 C:4OL202 2.6 51.0 1.0
O9 C:4OL202 2.7 26.4 1.0
O49 C:4OL202 2.9 35.4 1.0
N3 C:4OL202 3.1 26.9 1.0
C36 C:4OL202 3.2 33.3 1.0
C4 C:4OL202 3.2 26.4 1.0
N27 C:4OL202 3.2 34.5 1.0
N35 C:4OL202 3.3 32.7 1.0
C44 C:4OL202 3.4 37.9 1.0
N45 C:4OL202 3.4 40.3 1.0
C26 C:4OL202 3.5 35.2 1.0
O C:HOH308 3.8 27.7 1.0
C2 C:4OL202 4.4 27.9 1.0
NZ C:LYS134 4.5 21.3 1.0
C22 C:4OL202 4.5 36.0 1.0
C37 C:4OL202 4.6 30.7 1.0
C5 C:4OL202 4.6 25.8 1.0
N9 C:4OL202 4.6 33.1 1.0
C34 C:4OL202 4.7 32.3 1.0
NZ C:LYS125 4.7 38.8 1.0
C43 C:4OL202 4.7 38.6 1.0
C14 C:4OL202 4.8 36.5 1.0
C40 C:4OL202 4.8 43.4 1.0
C29 C:4OL202 4.8 36.9 1.0
C25 C:4OL202 4.8 34.8 1.0
N32 C:4OL202 4.9 39.3 1.0
C1 C:4OL202 4.9 30.4 1.0
CZ3 C:TRP79 4.9 30.7 1.0
OH C:TYR106 5.0 22.0 1.0

Curium binding site 4 out of 6 in 4zhf

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Curium 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 Curium with other atoms in the Cm 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:Cm201

b:45.8
occ:1.00
 O10 D:4OL202 2.1 34.7 1.0
O48 D:4OL202 2.5 45.7 1.0
O50 D:4OL202 2.5 51.5 1.0
O47 D:4OL202 2.5 39.1 1.0
O9 D:4OL202 2.5 31.8 1.0
O49 D:4OL202 2.8 41.5 1.0
N3 D:4OL202 2.9 32.5 1.0
O46 D:4OL202 2.9 42.3 1.0
O51 D:4OL202 3.0 53.2 1.0
C4 D:4OL202 3.0 30.3 1.0
C36 D:4OL202 3.3 37.4 1.0
N27 D:4OL202 3.4 45.6 1.0
C26 D:4OL202 3.5 46.4 1.0
N45 D:4OL202 3.5 55.6 1.0
N35 D:4OL202 3.5 37.9 1.0
C44 D:4OL202 3.6 53.2 1.0
C2 D:4OL202 4.1 33.7 1.0
O D:HOH330 4.2 30.6 1.0
C5 D:4OL202 4.3 29.7 1.0
NZ D:LYS134 4.4 26.3 1.0
N9 D:4OL202 4.5 33.8 1.0
C37 D:4OL202 4.6 37.2 1.0
NZ D:LYS125 4.7 36.7 1.0
C22 D:4OL202 4.7 44.9 1.0
C1 D:4OL202 4.7 34.4 1.0
C14 D:4OL202 4.8 39.6 1.0
C25 D:4OL202 4.8 45.5 1.0
C40 D:4OL202 4.8 52.1 1.0
N32 D:4OL202 4.8 52.2 1.0
C34 D:4OL202 4.9 37.6 1.0
CZ3 D:TRP79 4.9 42.1 1.0
C29 D:4OL202 4.9 48.8 1.0
OH D:TYR106 5.0 25.7 1.0
C43 D:4OL202 5.0 54.0 1.0
CH2 D:TRP79 5.0 42.4 1.0

Curium binding site 5 out of 6 in 4zhf

Go back to Curium Binding Sites List in 4zhf
Curium 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 Curium with other atoms in the Cm 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:Cm201

b:44.8
occ:1.00
 O48 E:4OL202 2.0 33.2 1.0
O51 E:4OL202 2.3 48.4 1.0
O10 E:4OL202 2.4 40.6 1.0
O50 E:4OL202 2.6 58.0 1.0
O47 E:4OL202 2.7 33.6 1.0
O46 E:4OL202 2.7 38.9 1.0
O9 E:4OL202 3.0 30.9 1.0
C44 E:4OL202 3.1 48.6 1.0
O49 E:4OL202 3.1 39.2 1.0
N27 E:4OL202 3.2 40.3 1.0
N45 E:4OL202 3.2 46.7 1.0
N3 E:4OL202 3.3 32.2 1.0
C36 E:4OL202 3.5 34.4 1.0
C4 E:4OL202 3.5 32.8 1.0
N35 E:4OL202 3.5 35.7 1.0
C26 E:4OL202 3.5 42.7 1.0
C43 E:4OL202 4.3 46.3 1.0
O E:HOH311 4.3 20.5 1.0
C22 E:4OL202 4.5 41.3 1.0
NZ E:LYS134 4.5 26.7 1.0
C40 E:4OL202 4.5 48.7 1.0
C2 E:4OL202 4.6 32.9 1.0
N9 E:4OL202 4.7 36.3 1.0
NZ E:LYS125 4.8 43.2 1.0
C37 E:4OL202 4.8 35.2 1.0
C29 E:4OL202 4.8 42.6 1.0
C5 E:4OL202 4.8 32.1 1.0
C14 E:4OL202 4.9 43.3 1.0
C34 E:4OL202 4.9 38.0 1.0
CZ3 E:TRP79 4.9 35.1 1.0
C25 E:4OL202 4.9 41.6 1.0
OH E:TYR106 5.0 30.6 1.0
N32 E:4OL202 5.0 44.0 1.0

Curium binding site 6 out of 6 in 4zhf

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Curium 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 Curium with other atoms in the Cm 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:Cm201

b:42.3
occ:1.00
 O48 F:4OL202 2.2 33.5 1.0
O10 F:4OL202 2.3 33.5 1.0
O9 F:4OL202 2.4 27.0 1.0
O50 F:4OL202 2.5 36.6 1.0
O47 F:4OL202 2.6 31.9 1.0
O46 F:4OL202 2.7 36.0 1.0
O51 F:4OL202 2.7 43.3 1.0
O49 F:4OL202 2.8 37.2 1.0
C4 F:4OL202 3.0 29.1 1.0
N3 F:4OL202 3.0 30.6 1.0
N27 F:4OL202 3.3 36.8 1.0
C36 F:4OL202 3.4 30.7 1.0
N45 F:4OL202 3.4 39.0 1.0
N35 F:4OL202 3.4 31.3 1.0
C26 F:4OL202 3.5 38.1 1.0
C44 F:4OL202 3.5 40.0 1.0
O F:HOH310 4.0 22.8 1.0
C5 F:4OL202 4.4 31.2 1.0
C2 F:4OL202 4.4 32.9 1.0
NZ F:LYS134 4.6 29.2 1.0
C22 F:4OL202 4.6 39.7 1.0
C37 F:4OL202 4.7 30.8 1.0
NZ F:LYS125 4.7 38.7 1.0
C40 F:4OL202 4.7 43.3 1.0
N9 F:4OL202 4.8 38.2 1.0
C34 F:4OL202 4.8 33.1 1.0
C43 F:4OL202 4.8 43.1 1.0
C29 F:4OL202 4.8 39.9 1.0
C25 F:4OL202 4.8 40.5 1.0
CZ3 F:TRP79 4.8 28.4 1.0
N32 F:4OL202 4.9 40.7 1.0
OH F:TYR106 4.9 27.4 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: Tue Jul 30 14:06:17 2024

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