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Fluorine in PDB 7e1h: Crystal Structure of Rd-Bef

Protein crystallography data

The structure of Crystal Structure of Rd-Bef, PDB code: 7e1h was solved by S.Hong, X.Zhang, P.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.47 / 2.81
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 130.858, 130.858, 271.355, 90, 90, 120
R / Rfree (%) 22.6 / 25.3

Other elements in 7e1h:

The structure of Crystal Structure of Rd-Bef also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Rd-Bef (pdb code 7e1h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Crystal Structure of Rd-Bef, PDB code: 7e1h:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 7e1h

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Fluorine binding site 1 out of 9 in the Crystal Structure of Rd-Bef


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Rd-Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:35.1
occ:1.00
F1 A:BEF201 0.0 35.1 1.0
BE A:BEF201 1.5 28.4 1.0
MG A:MG202 1.9 13.8 1.0
F2 A:BEF201 2.4 18.8 1.0
F3 A:BEF201 2.6 23.7 1.0
OD1 A:ASP51 2.7 36.3 1.0
OD2 A:ASP51 3.1 19.8 1.0
O A:GLN53 3.1 49.7 1.0
CG A:ASP51 3.3 25.4 1.0
O I:HOH223 3.7 39.2 1.0
NH2 I:ARG110 3.7 23.1 1.0
N A:GLN53 3.8 24.6 1.0
CB A:GLN53 3.9 33.6 1.0
C A:GLN53 3.9 44.7 1.0
OD1 A:ASP10 3.9 30.2 1.0
OD2 I:ASP96 3.9 28.8 1.0
OD1 I:ASP96 4.0 32.4 1.0
CA A:GLN53 4.0 28.0 1.0
OD2 A:ASP10 4.3 29.8 1.0
CG I:ASP96 4.4 32.0 1.0
OG1 A:THR78 4.4 35.9 1.0
NZ A:LYS100 4.4 22.1 1.0
CG A:ASP10 4.5 31.8 1.0
CZ I:ARG110 4.7 32.5 1.0
OE2 A:GLU9 4.7 34.7 1.0
CB A:ASP51 4.8 20.1 1.0
N A:ARG52 4.8 26.5 1.0
C A:ARG52 4.9 29.0 1.0
N A:ALA79 5.0 24.7 1.0

Fluorine binding site 2 out of 9 in 7e1h

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Fluorine binding site 2 out of 9 in the Crystal Structure of Rd-Bef


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 Rd-Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:18.8
occ:1.00
F2 A:BEF201 0.0 18.8 1.0
BE A:BEF201 1.5 28.4 1.0
OD1 A:ASP51 2.0 36.3 1.0
F1 A:BEF201 2.4 35.1 1.0
F3 A:BEF201 2.5 23.7 1.0
NZ A:LYS100 2.5 22.1 1.0
N A:ALA79 3.1 24.7 1.0
CG A:ASP51 3.2 25.4 1.0
OG1 A:THR78 3.2 35.9 1.0
CA A:THR78 3.2 17.1 1.0
CE A:LYS100 3.4 27.8 1.0
MG A:MG202 3.6 13.8 1.0
C A:THR78 3.6 17.2 1.0
CB A:THR78 3.8 20.0 1.0
O I:HOH223 3.8 39.2 1.0
OD2 A:ASP51 3.8 19.8 1.0
CD A:LYS100 3.9 31.7 1.0
O A:LEU77 4.1 22.2 1.0
CB A:ALA79 4.2 21.2 1.0
CA A:ALA79 4.2 25.9 1.0
CB A:ASP51 4.2 20.1 1.0
N A:THR78 4.4 16.5 1.0
OE2 A:GLU9 4.5 34.7 1.0
N A:ARG52 4.5 26.5 1.0
OD2 I:ASP96 4.6 28.8 1.0
C A:LEU77 4.7 17.8 1.0
CA A:ASP51 4.7 20.4 1.0
NH2 I:ARG110 4.8 23.1 1.0
O A:THR78 4.8 22.2 1.0
N A:GLN53 5.0 24.6 1.0
OE1 A:GLU9 5.0 47.5 1.0

Fluorine binding site 3 out of 9 in 7e1h

Go back to Fluorine Binding Sites List in 7e1h
Fluorine binding site 3 out of 9 in the Crystal Structure of Rd-Bef


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 Rd-Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:23.7
occ:1.00
F3 A:BEF201 0.0 23.7 1.0
BE A:BEF201 1.5 28.4 1.0
OD1 A:ASP51 2.1 36.3 1.0
OG1 A:THR78 2.4 35.9 1.0
F2 A:BEF201 2.5 18.8 1.0
N A:ARG52 2.6 26.5 1.0
F1 A:BEF201 2.6 35.1 1.0
N A:GLN53 2.6 24.6 1.0
CG A:ASP51 2.8 25.4 1.0
CA A:ARG52 3.1 25.8 1.0
OD2 A:ASP51 3.3 19.8 1.0
CB A:THR78 3.3 20.0 1.0
C A:ARG52 3.3 29.0 1.0
CB A:ARG52 3.3 25.3 1.0
C A:ASP51 3.4 20.9 1.0
CA A:GLN53 3.7 28.0 1.0
MG A:MG202 3.8 13.8 1.0
CA A:THR78 3.8 17.1 1.0
CA A:ASP51 3.9 20.4 1.0
CB A:ASP51 4.0 20.1 1.0
CB A:GLN53 4.0 33.6 1.0
O A:GLN53 4.2 49.7 1.0
C A:GLN53 4.2 44.7 1.0
N A:ALA79 4.3 24.7 1.0
O A:ASP51 4.3 26.5 1.0
O A:ARG52 4.5 35.5 1.0
CD1 A:LEU80 4.5 23.8 1.0
CG A:ARG52 4.5 18.0 1.0
CG2 A:THR78 4.6 14.6 1.0
C A:THR78 4.6 17.2 1.0
O A:LEU77 4.7 22.2 1.0
NZ A:LYS100 4.8 22.1 1.0
NH2 I:ARG110 5.0 23.1 1.0

Fluorine binding site 4 out of 9 in 7e1h

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Fluorine binding site 4 out of 9 in the Crystal Structure of Rd-Bef


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 Rd-Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:26.4
occ:1.00
F1 B:BEF201 0.0 26.4 1.0
BE B:BEF201 1.5 18.5 1.0
MG B:MG202 2.0 14.7 1.0
O B:HOH319 2.1 30.5 1.0
F2 B:BEF201 2.5 13.1 1.0
OD2 B:ASP51 2.5 22.1 1.0
O B:GLN53 2.5 18.8 1.0
F3 B:BEF201 2.6 26.0 1.0
CG B:ASP51 2.8 25.6 1.0
OD1 B:ASP51 2.9 26.3 1.0
O J:HOH227 3.0 13.7 1.0
OE1 B:GLU9 3.1 22.5 1.0
C B:GLN53 3.4 14.0 1.0
N B:GLN53 3.5 9.7 1.0
NH2 J:ARG110 3.8 16.8 1.0
CA B:GLN53 3.8 14.3 1.0
OE2 B:GLU9 3.8 27.2 1.0
CD B:GLU9 3.8 27.7 1.0
CB B:GLN53 3.9 12.9 1.0
CB B:ASP51 3.9 20.4 1.0
OD2 B:ASP10 4.1 23.3 1.0
N B:ARG52 4.2 9.7 1.0
CD2 B:LEU54 4.2 22.9 1.0
OG1 B:THR78 4.3 25.7 1.0
O J:HOH214 4.4 26.0 1.0
OE1 B:GLN53 4.5 16.4 1.0
C B:ARG52 4.5 18.4 1.0
N B:LEU54 4.6 18.6 1.0
CZ J:ARG110 4.8 14.8 1.0
CA B:ARG52 4.9 16.4 1.0
NZ B:LYS100 4.9 18.3 1.0
CA B:ASP51 5.0 10.4 1.0

Fluorine binding site 5 out of 9 in 7e1h

Go back to Fluorine Binding Sites List in 7e1h
Fluorine binding site 5 out of 9 in the Crystal Structure of Rd-Bef


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 Rd-Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:13.1
occ:1.00
F2 B:BEF201 0.0 13.1 1.0
BE B:BEF201 1.5 18.5 1.0
O J:HOH227 2.3 13.7 1.0
OD1 B:ASP51 2.3 26.3 1.0
OD2 B:ASP51 2.4 22.1 1.0
F1 B:BEF201 2.5 26.4 1.0
F3 B:BEF201 2.5 26.0 1.0
CG B:ASP51 2.7 25.6 1.0
OG1 B:THR78 3.0 25.7 1.0
O B:HOH319 3.0 30.5 1.0
N B:ALA79 3.2 12.6 1.0
CA B:THR78 3.3 13.6 1.0
CE B:LYS100 3.5 16.6 1.0
CB B:THR78 3.6 21.3 1.0
C B:THR78 3.6 19.3 1.0
NZ B:LYS100 3.7 18.3 1.0
CB B:ALA79 4.1 19.7 1.0
O B:LEU77 4.2 21.6 1.0
CB B:ASP51 4.2 20.4 1.0
MG B:MG202 4.2 14.7 1.0
CD B:LYS100 4.2 18.9 1.0
CA B:ALA79 4.2 14.0 1.0
NH2 J:ARG110 4.3 16.8 1.0
OE1 B:GLU9 4.4 22.5 1.0
N B:THR78 4.5 10.0 1.0
N B:ARG52 4.6 9.7 1.0
OE2 B:GLU9 4.7 27.2 1.0
CD B:GLU9 4.7 27.7 1.0
CZ J:ARG110 4.8 14.8 1.0
O B:THR78 4.8 78.9 1.0
C B:LEU77 4.8 18.6 1.0
N B:GLN53 4.8 9.7 1.0
NH1 J:ARG110 4.8 12.5 1.0
O B:GLN53 4.9 18.8 1.0
CG B:LYS100 5.0 20.4 1.0
CG2 B:THR78 5.0 17.3 1.0

Fluorine binding site 6 out of 9 in 7e1h

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Fluorine binding site 6 out of 9 in the Crystal Structure of Rd-Bef


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 Rd-Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:26.0
occ:1.00
F3 B:BEF201 0.0 26.0 1.0
BE B:BEF201 1.5 18.5 1.0
OD2 B:ASP51 2.0 22.1 1.0
OG1 B:THR78 2.1 25.7 1.0
O J:HOH227 2.3 13.7 1.0
N B:GLN53 2.5 9.7 1.0
F2 B:BEF201 2.5 13.1 1.0
F1 B:BEF201 2.6 26.4 1.0
N B:ARG52 3.0 9.7 1.0
CG B:ASP51 3.1 25.6 1.0
CB B:THR78 3.2 21.3 1.0
CB B:ARG52 3.2 13.9 1.0
CA B:ARG52 3.3 16.4 1.0
C B:ARG52 3.4 18.4 1.0
CB B:GLN53 3.5 12.9 1.0
CA B:GLN53 3.5 14.3 1.0
CD1 B:LEU80 3.5 9.7 1.0
OD1 B:ASP51 3.8 26.3 1.0
O B:GLN53 4.0 18.8 1.0
CA B:THR78 4.0 13.6 1.0
N B:ALA79 4.1 12.6 1.0
C B:GLN53 4.1 14.0 1.0
C B:ASP51 4.2 15.9 1.0
NH2 J:ARG110 4.2 16.8 1.0
CB B:ASP51 4.3 20.4 1.0
CG B:ARG52 4.3 15.3 1.0
MG B:MG202 4.3 14.7 1.0
O B:HOH319 4.4 30.5 1.0
CG2 B:THR78 4.4 17.3 1.0
O B:ARG52 4.6 21.4 1.0
C B:THR78 4.6 19.3 1.0
CA B:ASP51 4.6 10.4 1.0
CG B:LEU80 4.9 12.7 1.0
CG B:GLN53 5.0 15.1 1.0
NH1 J:ARG110 5.0 12.5 1.0

Fluorine binding site 7 out of 9 in 7e1h

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Fluorine binding site 7 out of 9 in the Crystal Structure of Rd-Bef


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 Rd-Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F201

b:31.5
occ:1.00
F1 E:BEF201 0.0 31.5 1.0
BE E:BEF201 1.5 30.1 1.0
MG E:MG202 2.3 30.7 1.0
O E:GLN53 2.4 23.5 1.0
F2 E:BEF201 2.5 18.2 1.0
F3 E:BEF201 2.6 29.5 1.0
OD2 E:ASP51 2.7 42.2 1.0
CB E:GLN53 3.2 31.4 1.0
C E:GLN53 3.3 28.1 1.0
OE1 E:GLN53 3.3 28.1 1.0
CG E:ASP51 3.5 47.1 1.0
CA E:GLN53 3.6 37.8 1.0
OD1 E:ASP51 3.6 46.9 1.0
N E:GLN53 3.7 44.4 1.0
OD1 E:ASP10 3.9 34.5 1.0
OD2 E:ASP10 4.1 34.3 1.0
CD E:GLN53 4.2 37.6 1.0
CG E:GLN53 4.2 31.7 1.0
CG E:ASP10 4.4 36.9 1.0
N E:LEU54 4.5 26.8 1.0
OE2 E:GLU9 4.8 38.6 1.0
C E:ARG52 4.9 39.4 1.0
CB E:ASP51 5.0 43.9 1.0

Fluorine binding site 8 out of 9 in 7e1h

Go back to Fluorine Binding Sites List in 7e1h
Fluorine binding site 8 out of 9 in the Crystal Structure of Rd-Bef


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 Rd-Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F201

b:18.2
occ:1.00
F2 E:BEF201 0.0 18.2 1.0
BE E:BEF201 1.5 30.1 1.0
F1 E:BEF201 2.5 31.5 1.0
OD1 E:ASP51 2.5 46.9 1.0
F3 E:BEF201 2.5 29.5 1.0
OD2 E:ASP51 3.1 42.2 1.0
CG E:ASP51 3.1 47.1 1.0
N E:ALA79 3.4 29.5 1.0
CB E:ALA79 3.5 38.4 1.0
CE E:LYS100 3.7 30.6 1.0
NZ E:LYS100 3.9 27.6 1.0
CA E:ALA79 4.1 33.7 1.0
MG E:MG202 4.2 30.7 1.0
C E:THR78 4.3 23.8 1.0
CA E:THR78 4.3 24.1 1.0
OE2 E:GLU9 4.4 38.6 1.0
CB E:ASP51 4.5 43.9 1.0
CG2 E:THR78 4.5 29.0 1.0
O E:GLN53 4.6 23.5 1.0
O E:LEU77 4.8 36.0 1.0
N E:GLN53 4.9 44.4 1.0
CB E:GLN53 5.0 31.4 1.0

Fluorine binding site 9 out of 9 in 7e1h

Go back to Fluorine Binding Sites List in 7e1h
Fluorine binding site 9 out of 9 in the Crystal Structure of Rd-Bef


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 Rd-Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F201

b:29.5
occ:1.00
F3 E:BEF201 0.0 29.5 1.0
BE E:BEF201 1.5 30.1 1.0
F2 E:BEF201 2.5 18.2 1.0
F1 E:BEF201 2.6 31.5 1.0
N E:GLN53 3.0 44.4 1.0
OD1 E:ASP51 3.0 46.9 1.0
CB E:GLN53 3.1 31.4 1.0
CD1 E:LEU80 3.3 33.7 1.0
CG2 E:THR78 3.3 29.0 1.0
CA E:GLN53 3.5 37.8 1.0
CG E:ASP51 3.7 47.1 1.0
OD2 E:ASP51 3.7 42.2 1.0
N E:ALA79 3.9 29.5 1.0
N E:ARG52 4.0 43.2 1.0
O E:GLN53 4.0 23.5 1.0
C E:ARG52 4.0 39.4 1.0
CB E:ARG52 4.1 34.2 1.0
C E:GLN53 4.2 28.1 1.0
CA E:ARG52 4.2 34.8 1.0
CB E:ALA79 4.5 38.4 1.0
CG E:GLN53 4.5 31.7 1.0
CB E:THR78 4.5 26.3 1.0
CA E:THR78 4.6 24.1 1.0
N E:LEU80 4.6 41.6 1.0
CA E:ALA79 4.6 33.7 1.0
OE1 E:GLN53 4.6 28.1 1.0
MG E:MG202 4.7 30.7 1.0
CG E:LEU80 4.7 40.0 1.0
C E:THR78 4.8 23.8 1.0
CD E:GLN53 4.9 37.6 1.0
C E:ALA79 4.9 42.9 1.0
C E:ASP51 5.0 44.4 1.0

Reference:

S.Hong, P.Zhang. Structural Basis of Phosphorylation-Induced Activation of the Response Regulator Vbrr To Be Published.
Page generated: Tue Jul 15 19:13:53 2025

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