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Chlorine in PDB 4zhg: Siderocalin-Mediated Recognition and Cellular Uptake of Actinides

Protein crystallography data

The structure of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides, PDB code: 4zhg 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 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 107.733, 117.693, 121.225, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 21.7

Other elements in 4zhg:

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

Americium (Am) 6 atoms

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 6 in 4zhg

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Chlorine 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 Chlorine with other atoms in the Cl 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:Cl204

b:19.0
occ:1.00
 OH A:TYR138 2.9 18.1 1.0
OG1 A:THR54 3.0 16.7 1.0
O A:HOH324 3.0 19.7 1.0
O A:HOH351 3.4 43.4 1.0
CB A:THR54 3.8 16.9 1.0
NH2 A:ARG81 3.8 18.1 1.0
CZ A:TYR138 3.8 19.2 1.0
CE1 A:TYR138 3.8 20.7 1.0
CG2 A:THR54 3.9 17.2 1.0
C38 A:4OL202 3.9 23.6 1.0
C37 A:4OL202 3.9 23.6 1.0
OG A:SER68 4.0 17.3 1.0
CE2 A:TYR52 4.1 16.2 1.0
CG2 A:VAL33 4.2 14.9 1.0
OH A:TYR52 4.6 15.7 1.0
CG2 A:THR136 4.8 18.5 1.0
CZ A:PHE123 4.8 14.9 1.0
CZ A:TYR52 4.8 17.1 1.0
NZ A:LYS134 4.9 20.4 1.0
CD2 A:TYR52 5.0 16.1 1.0

Chlorine binding site 2 out of 6 in 4zhg

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Chlorine 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 Chlorine with other atoms in the Cl 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:Cl204

b:17.5
occ:1.00
 O B:HOH322 3.0 18.0 1.0
OH B:TYR138 3.0 16.3 1.0
OG1 B:THR54 3.0 15.3 1.0
O B:HOH349 3.2 46.1 1.0
CB B:THR54 3.8 15.8 1.0
NH2 B:ARG81 3.8 18.3 1.0
CZ B:TYR138 3.8 16.9 1.0
CG2 B:THR54 3.9 17.0 1.0
CE1 B:TYR138 3.9 16.4 1.0
C38 B:4OL202 4.0 17.4 1.0
OG B:SER68 4.0 13.4 1.0
C37 B:4OL202 4.0 17.3 1.0
CE2 B:TYR52 4.1 18.1 1.0
CG2 B:VAL33 4.3 17.3 1.0
OH B:TYR52 4.6 15.9 1.0
CZ B:PHE123 4.6 14.5 1.0
NZ B:LYS134 4.8 20.1 1.0
CG2 B:THR136 4.8 18.3 1.0
CZ B:TYR52 4.9 17.4 1.0
OG1 B:THR136 5.0 20.8 1.0

Chlorine binding site 3 out of 6 in 4zhg

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Chlorine 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 Chlorine with other atoms in the Cl 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:Cl204

b:19.8
occ:1.00
 OG1 C:THR54 3.0 14.3 1.0
OH C:TYR138 3.0 18.1 1.0
O C:HOH319 3.0 20.5 1.0
O C:HOH354 3.2 35.2 1.0
CB C:THR54 3.7 15.7 1.0
NH2 C:ARG81 3.8 18.5 1.0
CZ C:TYR138 3.9 20.7 1.0
CG2 C:THR54 3.9 15.7 1.0
CE1 C:TYR138 3.9 19.9 1.0
OG C:SER68 3.9 16.7 1.0
C37 C:4OL202 4.0 19.4 1.0
C38 C:4OL202 4.0 19.7 1.0
CE2 C:TYR52 4.1 16.6 1.0
CG2 C:VAL33 4.3 14.9 1.0
OH C:TYR52 4.6 15.7 1.0
CZ C:PHE123 4.8 16.5 1.0
CG2 C:THR136 4.9 16.2 1.0
NZ C:LYS134 4.9 19.6 1.0
CZ C:TYR52 4.9 18.9 1.0
O C:HOH330 5.0 28.3 1.0
CD2 C:TYR52 5.0 15.8 1.0
CZ C:ARG81 5.0 20.0 1.0

Chlorine binding site 4 out of 6 in 4zhg

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Chlorine 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 Chlorine with other atoms in the Cl 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:Cl203

b:20.5
occ:1.00
 OH D:TYR138 3.0 17.6 1.0
O D:HOH331 3.0 20.5 1.0
OG1 D:THR54 3.1 18.3 1.0
NH2 D:ARG81 3.6 20.4 1.0
CZ D:TYR138 3.8 19.4 1.0
CB D:THR54 3.9 18.1 1.0
CE1 D:TYR138 3.9 20.2 1.0
CG2 D:THR54 3.9 18.5 1.0
C37 D:4OL202 4.0 23.1 1.0
C38 D:4OL202 4.0 23.2 1.0
OG D:SER68 4.0 19.8 1.0
CE2 D:TYR52 4.1 17.5 1.0
CG2 D:VAL33 4.4 18.3 1.0
OH D:TYR52 4.6 19.4 1.0
CZ D:PHE123 4.7 15.0 1.0
CG2 D:THR136 4.8 19.6 1.0
CZ D:TYR52 4.8 18.7 1.0
NZ D:LYS134 4.9 23.3 1.0
CZ D:ARG81 4.9 21.0 1.0

Chlorine binding site 5 out of 6 in 4zhg

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Chlorine 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 Chlorine with other atoms in the Cl 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:Cl203

b:20.3
occ:1.00
 OH E:TYR138 2.9 21.1 1.0
OG1 E:THR54 3.0 19.3 1.0
O E:HOH328 3.1 21.4 1.0
NH2 E:ARG81 3.7 22.5 1.0
CB E:THR54 3.8 19.8 1.0
CZ E:TYR138 3.8 20.2 1.0
C38 E:4OL202 3.9 22.2 1.0
C37 E:4OL202 3.9 21.0 1.0
CG2 E:THR54 3.9 20.9 1.0
OG E:SER68 3.9 18.4 1.0
CE1 E:TYR138 3.9 20.6 1.0
CE2 E:TYR52 4.1 20.0 1.0
CG2 E:VAL33 4.5 18.9 1.0
OH E:TYR52 4.7 18.5 1.0
CZ E:PHE123 4.7 16.9 1.0
NZ E:LYS134 4.9 22.1 1.0
CG2 E:THR136 4.9 16.0 1.0
O E:HOH301 4.9 30.5 1.0
CZ E:TYR52 4.9 21.3 1.0
CZ E:ARG81 5.0 23.2 1.0

Chlorine binding site 6 out of 6 in 4zhg

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Chlorine 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 Chlorine with other atoms in the Cl 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:Cl204

b:18.0
occ:1.00
 OH F:TYR138 2.9 20.5 1.0
OG1 F:THR54 3.0 16.5 1.0
O F:HOH318 3.1 18.5 1.0
O F:HOH342 3.5 46.0 1.0
NH2 F:ARG81 3.8 18.6 1.0
CB F:THR54 3.8 15.5 1.0
CZ F:TYR138 3.8 20.2 1.0
CG2 F:THR54 3.9 16.0 1.0
CE1 F:TYR138 3.9 18.1 1.0
OG F:SER68 3.9 16.7 1.0
C38 F:4OL202 4.0 22.6 1.0
C37 F:4OL202 4.0 20.8 1.0
CE2 F:TYR52 4.1 17.3 1.0
CG2 F:VAL33 4.4 16.8 1.0
OH F:TYR52 4.6 18.0 1.0
CZ F:PHE123 4.7 15.6 1.0
CG2 F:THR136 4.9 15.7 1.0
CZ F:TYR52 4.9 17.7 1.0
NZ F:LYS134 4.9 21.1 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: Fri Jul 26 04:37:24 2024

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