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Fluorine in PDB 1xhf: Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca

Protein crystallography data

The structure of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca, PDB code: 1xhf was solved by A.Toro-Roman, T.R.Mack, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.15
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 86.169, 86.169, 213.082, 90.00, 90.00, 120.00
R / Rfree (%) 18.7 / 21.2

Other elements in 1xhf:

The structure of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca (pdb code 1xhf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 15 binding sites of Fluorine where determined in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca, PDB code: 1xhf:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 15 in 1xhf

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Fluorine binding site 1 out of 15 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:25.4
occ:1.00
 F1 A:BEF2001 0.0 25.4 1.0
BE A:BEF2001 1.5 27.2 1.0
MG A:MG1001 2.0 25.9 1.0
F2 A:BEF2001 2.5 27.2 1.0
F3 A:BEF2001 2.5 26.7 1.0
OD1 A:ASP54 2.5 23.1 1.0
OD2 A:ASP54 2.7 25.9 1.0
O A:HOH2047 2.8 22.1 1.0
O A:HOH2016 2.9 30.1 1.0
O A:ASN56 3.0 21.7 1.0
CG A:ASP54 3.0 23.4 1.0
CB A:ASN56 3.3 28.9 1.0
N A:ASN56 3.3 23.1 1.0
CA A:ASN56 3.6 25.2 1.0
C A:ASN56 3.7 24.0 1.0
O A:HOH2049 3.8 42.8 1.0
ND2 A:ASN56 4.0 32.9 1.0
CG A:ASN56 4.1 32.5 1.0
NZ A:LYS103 4.1 29.5 1.0
OD2 A:ASP11 4.1 24.0 1.0
N A:ILE55 4.3 19.8 1.0
C A:ILE55 4.5 22.3 1.0
CB A:ASP54 4.5 22.2 1.0
OE2 A:GLU12 4.5 32.4 1.0
OE1 A:GLU10 4.9 27.5 1.0
CA A:ILE55 4.9 20.2 1.0

Fluorine binding site 2 out of 15 in 1xhf

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Fluorine binding site 2 out of 15 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:27.2
occ:1.00
 F2 A:BEF2001 0.0 27.2 1.0
BE A:BEF2001 1.5 27.2 1.0
OD1 A:ASP54 2.3 23.1 1.0
F1 A:BEF2001 2.5 25.4 1.0
F3 A:BEF2001 2.5 26.7 1.0
OG1 A:THR81 2.8 22.1 1.0
N A:ILE55 2.8 19.8 1.0
N A:ASN56 3.0 23.1 1.0
CG A:ASP54 3.3 23.4 1.0
CA A:ILE55 3.4 20.2 1.0
CB A:THR81 3.5 21.1 1.0
CB A:ILE55 3.5 19.9 1.0
C A:ILE55 3.6 22.3 1.0
CA A:THR81 3.9 22.8 1.0
OD2 A:ASP54 3.9 25.9 1.0
C A:ASP54 3.9 20.1 1.0
N A:GLY82 4.0 26.1 1.0
CA A:ASN56 4.1 25.2 1.0
CB A:ASN56 4.1 28.9 1.0
ND2 A:ASN56 4.2 32.9 1.0
CG A:ASN56 4.2 32.5 1.0
MG A:MG1001 4.2 25.9 1.0
CA A:ASP54 4.3 20.0 1.0
CG A:ARG83 4.3 37.6 1.0
CB A:ASP54 4.4 22.2 1.0
C A:THR81 4.4 24.2 1.0
CG1 A:ILE55 4.4 21.0 1.0
O A:ASN56 4.5 21.7 1.0
CG2 A:ILE55 4.6 18.0 1.0
N A:ARG83 4.7 27.8 1.0
NZ A:LYS103 4.7 29.5 1.0
C A:ASN56 4.7 24.0 1.0
O A:HOH2047 4.8 22.1 1.0
CG2 A:THR81 4.9 21.3 1.0
O A:ILE55 4.9 20.8 1.0
OD1 A:ASN56 4.9 33.9 1.0
O A:LEU80 4.9 19.8 1.0
O A:ASP54 5.0 20.0 1.0
CA A:GLY82 5.0 26.0 1.0

Fluorine binding site 3 out of 15 in 1xhf

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Fluorine binding site 3 out of 15 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:26.7
occ:1.00
 F3 A:BEF2001 0.0 26.7 1.0
BE A:BEF2001 1.5 27.2 1.0
F2 A:BEF2001 2.5 27.2 1.0
F1 A:BEF2001 2.5 25.4 1.0
OD1 A:ASP54 2.5 23.1 1.0
NZ A:LYS103 2.7 29.5 1.0
N A:GLY82 2.9 26.1 1.0
CE A:LYS103 3.4 29.6 1.0
CD A:LYS103 3.5 30.7 1.0
O A:HOH2047 3.5 22.1 1.0
CA A:THR81 3.6 22.8 1.0
CG A:ASP54 3.6 23.4 1.0
C A:THR81 3.7 24.2 1.0
CA A:GLY82 3.8 26.0 1.0
OG1 A:THR81 3.9 22.1 1.0
OD2 A:ASP54 4.1 25.9 1.0
MG A:MG1001 4.1 25.9 1.0
CB A:THR81 4.2 21.1 1.0
O A:LEU80 4.6 19.8 1.0
OE2 A:GLU12 4.6 32.4 1.0
O A:HOH2006 4.7 27.8 1.0
CG A:LYS103 4.7 30.7 1.0
C A:GLY82 4.7 28.2 1.0
N A:THR81 4.8 22.2 1.0
O A:HOH2049 4.8 42.8 1.0
N A:ARG83 4.8 27.8 1.0
N A:ILE55 4.8 19.8 1.0
O A:HOH2016 4.8 30.1 1.0
OE2 A:GLU10 4.9 28.6 1.0
CB A:ASP54 4.9 22.2 1.0
O A:THR81 4.9 24.0 1.0

Fluorine binding site 4 out of 15 in 1xhf

Go back to Fluorine Binding Sites List in 1xhf
Fluorine binding site 4 out of 15 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2002

b:29.4
occ:1.00
 F1 B:BEF2002 0.0 29.4 1.0
BE B:BEF2002 1.5 27.6 1.0
MG B:MG1002 2.0 28.6 1.0
F2 B:BEF2002 2.5 26.7 1.0
F3 B:BEF2002 2.5 27.1 1.0
OD1 B:ASP54 2.6 27.1 1.0
O B:HOH4008 2.7 21.6 1.0
OD2 B:ASP54 2.9 28.2 1.0
O B:HOH4052 2.9 34.0 1.0
CG B:ASP54 3.1 27.3 1.0
O B:ASN56 3.2 31.1 1.0
CB B:ASN56 3.2 33.8 1.0
N B:ASN56 3.4 27.6 1.0
CA B:ASN56 3.7 30.3 1.0
C B:ASN56 3.8 30.3 1.0
OD2 B:ASP11 4.1 30.7 1.0
NZ B:LYS103 4.1 29.2 1.0
CG B:ASN56 4.2 37.4 1.0
N B:ILE55 4.5 26.2 1.0
ND2 B:ASN56 4.5 38.2 1.0
C B:ILE55 4.6 25.6 1.0
CB B:ASP54 4.6 26.7 1.0
OE2 B:GLU12 4.7 40.3 1.0
N B:GLY82 4.8 26.1 1.0
OG1 B:THR81 4.9 24.2 1.0

Fluorine binding site 5 out of 15 in 1xhf

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Fluorine binding site 5 out of 15 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2002

b:26.7
occ:1.00
 F2 B:BEF2002 0.0 26.7 1.0
BE B:BEF2002 1.5 27.6 1.0
OD1 B:ASP54 2.4 27.1 1.0
F1 B:BEF2002 2.5 29.4 1.0
F3 B:BEF2002 2.5 27.1 1.0
OG1 B:THR81 2.6 24.2 1.0
N B:ASN56 2.8 27.6 1.0
N B:ILE55 2.9 26.2 1.0
CA B:ILE55 3.4 25.9 1.0
CG B:ASP54 3.4 27.3 1.0
CB B:THR81 3.4 23.8 1.0
CB B:ILE55 3.5 26.1 1.0
C B:ILE55 3.6 25.6 1.0
N B:GLY82 3.8 26.1 1.0
CA B:THR81 3.8 25.0 1.0
CB B:ASN56 3.8 33.8 1.0
CA B:ASN56 3.9 30.3 1.0
OD2 B:ASP54 4.0 28.2 1.0
C B:ASP54 4.0 26.8 1.0
MG B:MG1002 4.2 28.6 1.0
CG B:ARG83 4.2 33.9 1.0
CG B:ASN56 4.2 37.4 1.0
C B:THR81 4.3 25.4 1.0
CA B:ASP54 4.4 25.9 1.0
CB B:ASP54 4.5 26.7 1.0
N B:ARG83 4.5 30.0 1.0
CG1 B:ILE55 4.5 25.3 1.0
O B:ASN56 4.6 31.1 1.0
OD1 B:ASN56 4.6 39.5 1.0
CG2 B:ILE55 4.6 24.2 1.0
C B:ASN56 4.7 30.3 1.0
ND2 B:ASN56 4.7 38.2 1.0
O B:ILE55 4.7 24.5 1.0
CG2 B:THR81 4.8 23.5 1.0
CA B:GLY82 4.8 28.3 1.0
O B:HOH4008 4.8 21.6 1.0
NZ B:LYS103 4.9 29.2 1.0
O B:LEU80 4.9 23.0 1.0

Fluorine binding site 6 out of 15 in 1xhf

Go back to Fluorine Binding Sites List in 1xhf
Fluorine binding site 6 out of 15 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2002

b:27.1
occ:1.00
 F3 B:BEF2002 0.0 27.1 1.0
BE B:BEF2002 1.5 27.6 1.0
F1 B:BEF2002 2.5 29.4 1.0
F2 B:BEF2002 2.5 26.7 1.0
OD1 B:ASP54 2.5 27.1 1.0
N B:GLY82 2.6 26.1 1.0
NZ B:LYS103 2.8 29.2 1.0
CA B:THR81 3.4 25.0 1.0
C B:THR81 3.4 25.4 1.0
CE B:LYS103 3.5 27.7 1.0
CD B:LYS103 3.6 28.7 1.0
CA B:GLY82 3.6 28.3 1.0
OG1 B:THR81 3.6 24.2 1.0
CG B:ASP54 3.7 27.3 1.0
O B:HOH4008 3.7 21.6 1.0
CB B:THR81 4.0 23.8 1.0
OD2 B:ASP54 4.1 28.2 1.0
MG B:MG1002 4.2 28.6 1.0
O B:LEU80 4.4 23.0 1.0
N B:THR81 4.6 25.8 1.0
O B:THR81 4.6 24.8 1.0
C B:GLY82 4.6 29.5 1.0
N B:ARG83 4.7 30.0 1.0
CG B:LYS103 4.7 29.1 1.0
N B:ILE55 4.8 26.2 1.0
O B:HOH4017 4.9 29.4 1.0
CB B:ASP54 4.9 26.7 1.0
OE1 B:GLU10 4.9 28.2 1.0
C B:LEU80 5.0 24.9 1.0
N B:ASN56 5.0 27.6 1.0

Fluorine binding site 7 out of 15 in 1xhf

Go back to Fluorine Binding Sites List in 1xhf
Fluorine binding site 7 out of 15 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2003

b:52.3
occ:1.00
 F1 B:BEF2003 0.0 52.3 1.0
BE B:BEF2003 1.5 51.6 1.0
F2 B:BEF2003 2.5 51.8 1.0
F3 B:BEF2003 2.5 51.6 1.0
CB B:SER119 4.0 27.7 1.0
CG B:ARG120 4.2 35.5 1.0
NE B:ARG120 4.3 34.1 1.0
O B:ASN116 4.3 20.7 1.0
CZ B:ARG120 4.3 33.0 1.0
NH1 B:ARG120 4.4 31.2 1.0
NE A:ARG70 4.6 30.9 1.0
OD2 A:ASP98 4.7 24.1 1.0
O A:GLY96 4.7 20.6 1.0
NH2 B:ARG120 4.8 31.8 1.0
CD B:ARG120 4.8 34.7 1.0
NH2 A:ARG70 4.9 29.2 1.0
N B:ARG120 4.9 31.2 1.0
OG B:SER119 4.9 33.0 1.0
CA B:ASN116 4.9 20.2 1.0
CB B:ASN116 5.0 19.0 1.0
C B:SER119 5.0 28.5 1.0

Fluorine binding site 8 out of 15 in 1xhf

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Fluorine binding site 8 out of 15 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2003

b:51.8
occ:1.00
 F2 B:BEF2003 0.0 51.8 1.0
BE B:BEF2003 1.5 51.6 1.0
F3 B:BEF2003 2.4 51.6 1.0
F1 B:BEF2003 2.5 52.3 1.0
NH2 B:ARG120 4.1 31.8 1.0
O B:SER119 4.2 29.1 1.0
CB B:SER119 4.3 27.7 1.0
CG A:ASN74 4.4 43.1 1.0
CB A:ASN74 4.4 40.1 1.0
CZ B:ARG120 4.4 33.0 1.0
C B:SER119 4.4 28.5 1.0
OD1 A:ASN74 4.5 43.8 1.0
CG B:ARG120 4.5 35.5 1.0
N B:ARG120 4.7 31.2 1.0
NE B:ARG120 4.8 34.1 1.0
CA B:ARG120 4.8 34.5 1.0
ND2 A:ASN74 4.8 44.5 1.0
NH1 B:ARG120 4.9 31.2 1.0
CD B:ARG120 4.9 34.7 1.0

Fluorine binding site 9 out of 15 in 1xhf

Go back to Fluorine Binding Sites List in 1xhf
Fluorine binding site 9 out of 15 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2003

b:51.6
occ:1.00
 F3 B:BEF2003 0.0 51.6 1.0
BE B:BEF2003 1.5 51.6 1.0
F2 B:BEF2003 2.4 51.8 1.0
F1 B:BEF2003 2.5 52.3 1.0
OD1 A:ASN74 3.5 43.8 1.0
NE A:ARG70 3.5 30.9 1.0
CB A:ASN74 3.9 40.1 1.0
CD A:ARG70 3.9 32.5 1.0
CZ A:ARG70 3.9 30.5 1.0
CA A:ASN74 3.9 36.7 1.0
CG A:ASN74 3.9 43.1 1.0
O A:ASN74 4.1 31.4 1.0
NH2 A:ARG70 4.3 29.2 1.0
NH1 B:ARG120 4.3 31.2 1.0
NH1 A:ARG70 4.4 29.0 1.0
C A:ASN74 4.4 33.3 1.0
CZ B:ARG120 4.5 33.0 1.0
NH2 B:ARG120 4.6 31.8 1.0
ND2 A:ASN74 4.9 44.5 1.0

Fluorine binding site 10 out of 15 in 1xhf

Go back to Fluorine Binding Sites List in 1xhf
Fluorine binding site 10 out of 15 in the Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of the BEF3-Activated Receiver Domain of Redox Response Regulator Arca within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F3001

b:58.7
occ:1.00
 F1 B:BF43001 0.0 58.7 1.0
BE B:BF43001 1.5 58.5 1.0
F4 B:BF43001 2.4 58.5 1.0
F3 B:BF43001 2.4 58.2 1.0
F2 B:BF43001 2.5 58.0 1.0
CG B:ARG115 4.1 28.7 1.0
OG B:SER119 4.3 33.0 1.0
CD B:ARG115 4.8 33.4 1.0
O B:HOH4063 4.9 49.3 1.0

Reference:

A.Toro-Roman, T.R.Mack, A.M.Stock. Structural Analysis and Solution Studies of the Activated Regulatory Domain of the Response Regulator Arca: A Symmetric Dimer Mediated By the ALPHA4-BETA5-ALPHA5 Face J.Mol.Biol. V. 349 11 2005.
ISSN: ISSN 0022-2836
PubMed: 15876365
DOI: 10.1016/J.JMB.2005.03.059
Page generated: Wed Jul 31 13:18:37 2024

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