Atomistry » Chlorine » PDB 4zg7-4zno » 4zhh
Atomistry »
  Chlorine »
    PDB 4zg7-4zno »
      4zhh »

Chlorine 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:

Samarium (Sm) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Siderocalin-Mediated Recognition and Cellular Uptake of Actinides, PDB code: 4zhh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4zhh

Go back to Chlorine Binding Sites List in 4zhh
Chlorine binding site 1 out of 8 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:Cl205

b:18.8
occ:1.00
 OH A:TYR138 3.0 18.7 1.0
O A:HOH388 3.0 33.2 1.0
O A:HOH348 3.0 16.9 1.0
OG1 A:THR54 3.0 18.6 1.0
NH2 A:ARG81 3.6 16.8 1.0
CB A:THR54 3.8 16.7 1.0
CZ A:TYR138 3.8 21.0 1.0
CE1 A:TYR138 3.9 17.7 1.0
OG A:SER68 3.9 18.4 1.0
CG2 A:THR54 3.9 17.1 1.0
C37 A:4OL202 3.9 17.7 1.0
C38 A:4OL202 4.0 19.7 1.0
CE2 A:TYR52 4.1 18.0 1.0
CG2 A:VAL33 4.3 16.7 1.0
OH A:TYR52 4.6 18.1 1.0
CG2 A:THR136 4.8 18.1 1.0
CZ A:ARG81 4.8 18.6 1.0
CZ A:TYR52 4.9 17.9 1.0
NZ A:LYS134 4.9 22.8 1.0
CZ A:PHE123 4.9 12.8 1.0
O A:HOH361 5.0 26.4 1.0
CD2 A:TYR52 5.0 16.2 1.0

Chlorine binding site 2 out of 8 in 4zhh

Go back to Chlorine Binding Sites List in 4zhh
Chlorine binding site 2 out of 8 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:17.8
occ:1.00
 OH B:TYR138 2.9 15.7 1.0
OG1 B:THR54 3.0 16.1 1.0
O B:HOH356 3.1 15.8 1.0
O B:HOH374 3.1 25.3 1.0
CB B:THR54 3.8 15.3 1.0
CZ B:TYR138 3.8 17.3 1.0
NH2 B:ARG81 3.8 16.5 1.0
CE1 B:TYR138 3.9 18.0 1.0
CG2 B:THR54 3.9 15.3 1.0
C38 B:4OL202 4.0 14.7 1.0
C37 B:4OL202 4.0 16.9 1.0
OG B:SER68 4.0 14.1 1.0
CE2 B:TYR52 4.1 16.9 1.0
CG2 B:VAL33 4.3 18.1 1.0
OH B:TYR52 4.7 16.9 1.0
CZ B:PHE123 4.7 15.8 1.0
CG2 B:THR136 4.8 17.5 1.0
NZ B:LYS134 4.8 20.2 1.0
O B:HOH358 4.8 25.0 1.0
CZ B:TYR52 4.9 18.3 1.0

Chlorine binding site 3 out of 8 in 4zhh

Go back to Chlorine Binding Sites List in 4zhh
Chlorine binding site 3 out of 8 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:16.9
occ:1.00
 OH C:TYR138 3.0 15.5 1.0
OG1 C:THR54 3.0 15.9 1.0
O C:HOH359 3.1 14.6 1.0
O C:HOH387 3.2 24.7 1.0
NH2 C:ARG81 3.7 18.6 1.0
CB C:THR54 3.8 16.7 1.0
CZ C:TYR138 3.8 15.2 1.0
CG2 C:THR54 3.8 16.0 1.0
CE1 C:TYR138 3.9 14.4 1.0
C37 C:4OL202 3.9 18.4 1.0
C38 C:4OL202 3.9 17.0 1.0
OG C:SER68 3.9 15.4 1.0
CE2 C:TYR52 4.1 17.9 1.0
CG2 C:VAL33 4.3 18.5 1.0
OH C:TYR52 4.7 18.8 1.0
CG2 C:THR136 4.8 17.6 1.0
CZ C:PHE123 4.8 17.8 1.0
NZ C:LYS134 4.9 15.7 1.0
CZ C:TYR52 4.9 19.1 1.0
O C:HOH351 4.9 20.6 1.0
CZ C:ARG81 4.9 19.6 1.0
CD2 C:TYR52 5.0 17.7 1.0

Chlorine binding site 4 out of 8 in 4zhh

Go back to Chlorine Binding Sites List in 4zhh
Chlorine binding site 4 out of 8 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
C:Cl205

b:26.9
occ:1.00
 ND1 C:HIS118 3.0 20.0 1.0
OG C:SER112 3.0 18.3 1.0
O C:SER112 3.5 16.7 1.0
O C:HOH392 3.5 24.6 1.0
CE1 C:HIS118 3.6 21.0 1.0
CA C:ALA119 3.7 12.8 1.0
C C:SER112 3.7 14.9 1.0
N C:MET120 3.8 12.1 1.0
CB C:SER112 3.8 19.2 1.0
C C:ALA119 3.8 14.2 1.0
N C:ALA119 4.0 12.7 1.0
CA C:THR113 4.0 14.1 1.0
N C:THR113 4.0 14.1 1.0
CG C:HIS118 4.1 18.7 1.0
CG C:MET120 4.1 21.8 1.0
O C:HIS118 4.2 13.4 1.0
C C:HIS118 4.2 13.8 1.0
CD1 C:LEU148 4.3 34.5 1.0
CE C:MET120 4.3 30.4 1.0
CA C:SER112 4.4 15.8 1.0
CB C:HIS118 4.5 18.2 1.0
CB C:MET120 4.5 15.2 1.0
O C:ALA119 4.5 13.0 1.0
CA C:MET120 4.7 13.9 1.0
NE2 C:HIS118 4.8 23.1 1.0
C C:THR113 4.8 17.4 1.0
CA C:HIS118 5.0 15.5 1.0

Chlorine binding site 5 out of 8 in 4zhh

Go back to Chlorine Binding Sites List in 4zhh
Chlorine binding site 5 out of 8 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
D:Cl204

b:18.8
occ:1.00
 OH D:TYR138 3.0 18.4 1.0
OG1 D:THR54 3.0 17.7 1.0
O D:HOH333 3.1 20.0 1.0
O D:HOH357 3.1 32.2 1.0
NH2 D:ARG81 3.6 22.8 1.0
CB D:THR54 3.8 16.2 1.0
CZ D:TYR138 3.8 17.4 1.0
CE1 D:TYR138 3.9 17.1 1.0
CG2 D:THR54 3.9 15.5 1.0
OG D:SER68 3.9 16.9 1.0
C37 D:4OL202 3.9 22.3 1.0
C38 D:4OL202 3.9 22.2 1.0
CE2 D:TYR52 4.1 21.2 1.0
CG2 D:VAL33 4.3 18.7 1.0
OH D:TYR52 4.6 21.6 1.0
CG2 D:THR136 4.8 22.1 1.0
CZ D:ARG81 4.8 20.3 1.0
NZ D:LYS134 4.8 22.1 1.0
CZ D:PHE123 4.9 17.9 1.0
CZ D:TYR52 4.9 21.9 1.0
O D:HOH345 4.9 24.8 1.0
CD2 D:TYR52 5.0 18.9 1.0

Chlorine binding site 6 out of 8 in 4zhh

Go back to Chlorine Binding Sites List in 4zhh
Chlorine binding site 6 out of 8 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
D:Cl207

b:32.3
occ:1.00
 ND1 D:HIS118 2.9 22.3 1.0
OG D:SER112 3.1 20.0 1.0
O D:SER112 3.4 17.1 1.0
CA D:ALA119 3.6 15.2 1.0
CE1 D:HIS118 3.6 22.6 1.0
C D:SER112 3.7 19.3 1.0
C D:ALA119 3.7 17.6 1.0
N D:MET120 3.7 16.8 1.0
CB D:SER112 3.8 21.0 1.0
N D:ALA119 3.8 16.0 1.0
CA D:THR113 3.9 17.4 1.0
O D:HIS118 3.9 15.5 1.0
C D:HIS118 3.9 16.0 1.0
N D:THR113 3.9 19.1 1.0
CG D:HIS118 4.0 19.8 1.0
CG D:MET120 4.2 28.3 1.0
CB D:HIS118 4.3 17.4 1.0
CA D:SER112 4.4 17.1 1.0
O D:ALA119 4.4 16.5 1.0
CE D:MET120 4.5 34.8 1.0
CB D:MET120 4.6 19.3 1.0
C D:THR113 4.7 18.0 1.0
CA D:MET120 4.7 17.2 1.0
NE2 D:HIS118 4.8 23.4 1.0
CA D:HIS118 4.8 16.6 1.0
N D:ASN114 4.9 17.0 1.0
CB D:ALA119 4.9 14.2 1.0
CB D:THR113 5.0 16.1 1.0

Chlorine binding site 7 out of 8 in 4zhh

Go back to Chlorine Binding Sites List in 4zhh
Chlorine binding site 7 out of 8 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 7 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl204

b:19.4
occ:1.00
 OH E:TYR138 2.9 20.8 1.0
OG1 E:THR54 3.0 18.0 1.0
O E:HOH323 3.1 17.6 1.0
O E:HOH345 3.6 48.3 1.0
NH2 E:ARG81 3.7 21.4 1.0
CZ E:TYR138 3.8 20.0 1.0
CB E:THR54 3.8 17.5 1.0
C37 E:4OL202 3.9 16.3 1.0
C38 E:4OL202 3.9 18.6 1.0
OG E:SER68 3.9 20.1 1.0
CE1 E:TYR138 3.9 18.7 1.0
CG2 E:THR54 3.9 17.2 1.0
CE2 E:TYR52 4.1 22.7 1.0
CG2 E:VAL33 4.4 20.7 1.0
OH E:TYR52 4.6 21.9 1.0
CZ E:PHE123 4.8 15.6 1.0
NZ E:LYS134 4.9 23.0 1.0
CG2 E:THR136 4.9 20.1 1.0
CZ E:TYR52 4.9 22.1 1.0
CZ E:ARG81 5.0 20.4 1.0
CD2 E:TYR52 5.0 21.0 1.0
OH E:TYR56 5.0 19.5 1.0

Chlorine binding site 8 out of 8 in 4zhh

Go back to Chlorine Binding Sites List in 4zhh
Chlorine binding site 8 out of 8 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 8 of Siderocalin-Mediated Recognition and Cellular Uptake of Actinides within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl204

b:23.0
occ:1.00
 OH F:TYR138 2.9 21.1 1.0
OG1 F:THR54 3.0 22.2 1.0
O F:HOH345 3.2 19.6 1.0
NH2 F:ARG81 3.7 25.5 1.0
CZ F:TYR138 3.8 19.9 1.0
CB F:THR54 3.8 23.9 1.0
CG2 F:THR54 3.8 23.5 1.0
CE1 F:TYR138 3.8 21.6 1.0
OG F:SER68 3.9 24.9 1.0
C37 F:4OL202 3.9 24.8 1.0
C38 F:4OL202 4.0 26.5 1.0
CE2 F:TYR52 4.1 27.6 1.0
CG2 F:VAL33 4.4 25.2 1.0
OH F:TYR52 4.7 24.2 1.0
CZ F:PHE123 4.8 20.1 1.0
CG2 F:THR136 4.9 24.1 1.0
NZ F:LYS134 4.9 21.2 1.0
CZ F:TYR52 4.9 27.1 1.0
OH F:TYR56 5.0 21.1 1.0
CZ F:ARG81 5.0 25.0 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: Fri Jul 26 04:37:24 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy