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Fluorine in PDB 1f4v: Crystal Structure of Activated Chey Bound to the N-Terminus of Flim

Protein crystallography data

The structure of Crystal Structure of Activated Chey Bound to the N-Terminus of Flim, PDB code: 1f4v was solved by S.Y.Lee, H.S.Cho, J.G.Pelton, D.Yan, R.K.Henderson, D.King, L.S.Huang, S.Kustu, E.A.Berry, D.E.Wemmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.22
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 54.232, 54.233, 347.433, 90.00, 90.00, 120.00
R / Rfree (%) 21.7 / 25.8

Other elements in 1f4v:

The structure of Crystal Structure of Activated Chey Bound to the N-Terminus of Flim also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Activated Chey Bound to the N-Terminus of Flim (pdb code 1f4v). 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 Activated Chey Bound to the N-Terminus of Flim, PDB code: 1f4v:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 1f4v

Go back to Fluorine Binding Sites List in 1f4v
Fluorine binding site 1 out of 9 in the Crystal Structure of Activated Chey Bound to the N-Terminus of Flim


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 Activated Chey Bound to the N-Terminus of Flim within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F130

b:25.3
occ:1.00
 F1 A:BEF130 0.0 25.3 1.0
BE A:BEF130 1.5 28.8 1.0
MG B:MG302 2.3 32.4 1.0
F3 A:BEF130 2.5 27.6 1.0
F2 A:BEF130 2.5 27.7 1.0
OD1 A:ASP57 2.5 21.4 1.0
OD2 A:ASP57 2.5 23.9 1.0
CG A:ASP57 2.9 20.7 1.0
O A:ASN59 3.1 28.9 1.0
O A:HOH416 3.2 32.5 1.0
CB A:ASN59 3.2 41.0 1.0
O A:HOH428 3.3 38.9 1.0
N A:ASN59 3.5 27.1 1.0
O A:HOH383 3.5 40.0 1.0
CA A:ASN59 3.7 32.0 1.0
ND2 A:ASN59 3.7 67.5 1.0
C A:ASN59 3.8 31.5 1.0
CG A:ASN59 4.0 56.2 1.0
NZ A:LYS109 4.3 33.5 1.0
OD1 A:ASP13 4.3 30.3 1.0
N A:TRP58 4.3 22.9 1.0
CB A:ASP57 4.4 18.9 1.0
C A:TRP58 4.5 30.0 1.0
O A:HOH379 4.6 41.6 1.0
OG1 A:THR87 4.8 26.0 1.0
CA A:TRP58 4.9 28.8 1.0

Fluorine binding site 2 out of 9 in 1f4v

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Fluorine binding site 2 out of 9 in the Crystal Structure of Activated Chey Bound to the N-Terminus of Flim


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 Activated Chey Bound to the N-Terminus of Flim within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F130

b:27.7
occ:1.00
 F2 A:BEF130 0.0 27.7 1.0
BE A:BEF130 1.5 28.8 1.0
OD1 A:ASP57 2.5 21.4 1.0
F1 A:BEF130 2.5 25.3 1.0
F3 A:BEF130 2.5 27.6 1.0
OG1 A:THR87 2.5 26.0 1.0
N A:ASN59 2.9 27.1 1.0
N A:TRP58 3.0 22.9 1.0
ND2 A:ASN59 3.1 67.5 1.0
CB A:TRP58 3.2 26.2 1.0
CB A:THR87 3.3 26.3 1.0
CG A:ASP57 3.4 20.7 1.0
CA A:TRP58 3.4 28.8 1.0
C A:TRP58 3.6 30.0 1.0
CG A:ASN59 3.7 56.2 1.0
CB A:ASN59 3.7 41.0 1.0
CA A:ASN59 3.8 32.0 1.0
N A:ALA88 3.8 23.7 1.0
OD2 A:ASP57 3.9 23.9 1.0
CA A:THR87 3.9 26.3 1.0
C A:ASP57 4.2 25.7 1.0
N A:GLU89 4.3 25.2 1.0
C A:THR87 4.4 23.7 1.0
CG A:TRP58 4.5 35.0 1.0
O A:ASN59 4.5 28.9 1.0
MG B:MG302 4.6 32.4 1.0
CB A:ASP57 4.6 18.9 1.0
O A:HOH383 4.6 40.0 1.0
OD1 A:ASN59 4.6 66.5 1.0
CA A:ASP57 4.6 26.3 1.0
CB A:GLU89 4.6 28.4 1.0
C A:ASN59 4.7 31.5 1.0
CG2 A:THR87 4.7 16.7 1.0
O A:TRP58 4.8 31.2 1.0
CA A:ALA88 4.9 28.4 1.0
CB A:ALA88 5.0 29.7 1.0

Fluorine binding site 3 out of 9 in 1f4v

Go back to Fluorine Binding Sites List in 1f4v
Fluorine binding site 3 out of 9 in the Crystal Structure of Activated Chey Bound to the N-Terminus of Flim


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 Activated Chey Bound to the N-Terminus of Flim within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F130

b:27.6
occ:1.00
 F3 A:BEF130 0.0 27.6 1.0
BE A:BEF130 1.5 28.8 1.0
F1 A:BEF130 2.5 25.3 1.0
F2 A:BEF130 2.5 27.7 1.0
OD1 A:ASP57 2.5 21.4 1.0
O A:HOH383 2.8 40.0 1.0
N A:ALA88 3.0 23.7 1.0
NZ A:LYS109 3.0 33.5 1.0
CE A:LYS109 3.5 28.3 1.0
CG A:ASP57 3.5 20.7 1.0
CD A:LYS109 3.6 22.5 1.0
CA A:THR87 3.6 26.3 1.0
OG1 A:THR87 3.6 26.0 1.0
CB A:ALA88 3.7 29.7 1.0
C A:THR87 3.8 23.7 1.0
O A:HOH416 3.9 32.5 1.0
CA A:ALA88 3.9 28.4 1.0
OD2 A:ASP57 4.0 23.9 1.0
CB A:THR87 4.0 26.3 1.0
MG B:MG302 4.3 32.4 1.0
ND2 A:ASN59 4.5 67.5 1.0
CG A:LYS109 4.6 32.6 1.0
N A:GLU89 4.7 25.2 1.0
N A:TRP58 4.7 22.9 1.0
CB A:ASP57 4.8 18.9 1.0
O A:VAL86 4.8 27.4 1.0
O A:HOH379 4.8 41.6 1.0
C A:ALA88 4.9 23.7 1.0
N A:THR87 4.9 21.0 1.0
O A:HOH309 4.9 40.6 1.0
O A:THR87 5.0 27.6 1.0
OD2 A:ASP12 5.0 25.1 1.0
N A:ASN59 5.0 27.1 1.0

Fluorine binding site 4 out of 9 in 1f4v

Go back to Fluorine Binding Sites List in 1f4v
Fluorine binding site 4 out of 9 in the Crystal Structure of Activated Chey Bound to the N-Terminus of Flim


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 Activated Chey Bound to the N-Terminus of Flim within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F130

b:30.8
occ:1.00
 F1 B:BEF130 0.0 30.8 1.0
BE B:BEF130 1.5 35.5 1.0
MG A:MG301 2.3 42.5 1.0
F2 B:BEF130 2.4 33.6 1.0
F3 B:BEF130 2.5 31.9 1.0
OD1 B:ASP57 2.6 23.3 1.0
OD2 B:ASP57 2.7 30.8 1.0
O B:ASN59 2.9 32.3 1.0
CG B:ASP57 3.0 33.8 1.0
O B:HOH313 3.2 40.2 1.0
O B:HOH331 3.2 32.2 1.0
CB B:ASN59 3.3 28.2 1.0
O B:HOH324 3.4 34.9 1.0
N B:ASN59 3.5 34.1 1.0
CA B:ASN59 3.6 29.7 1.0
C B:ASN59 3.7 33.3 1.0
OD1 B:ASN59 3.9 34.0 1.0
CG B:ASN59 4.1 30.8 1.0
OD1 B:ASP13 4.2 29.9 1.0
NZ B:LYS109 4.4 23.8 1.0
N B:TRP58 4.4 35.1 1.0
CB B:ASP57 4.5 38.4 1.0
C B:TRP58 4.5 31.4 1.0
CG A:MET129 4.6 56.3 1.0
OG1 B:THR87 4.7 29.6 1.0
SD A:MET129 4.9 55.4 1.0
N B:MET60 5.0 37.0 1.0

Fluorine binding site 5 out of 9 in 1f4v

Go back to Fluorine Binding Sites List in 1f4v
Fluorine binding site 5 out of 9 in the Crystal Structure of Activated Chey Bound to the N-Terminus of Flim


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 Activated Chey Bound to the N-Terminus of Flim within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F130

b:33.6
occ:1.00
 F2 B:BEF130 0.0 33.6 1.0
BE B:BEF130 1.5 35.5 1.0
F1 B:BEF130 2.4 30.8 1.0
OD1 B:ASP57 2.5 23.3 1.0
F3 B:BEF130 2.5 31.9 1.0
OG1 B:THR87 2.5 29.6 1.0
N B:ASN59 2.8 34.1 1.0
O B:HOH313 2.9 40.2 1.0
N B:TRP58 3.2 35.1 1.0
CB B:TRP58 3.2 32.4 1.0
CA B:TRP58 3.5 31.3 1.0
CG B:ASP57 3.5 33.8 1.0
CB B:ASN59 3.6 28.2 1.0
CB B:THR87 3.6 31.6 1.0
C B:TRP58 3.6 31.4 1.0
CA B:ASN59 3.7 29.7 1.0
CG B:GLU89 3.8 46.4 1.0
N B:ALA88 4.0 30.6 1.0
OD2 B:ASP57 4.0 30.8 1.0
CA B:THR87 4.2 33.4 1.0
O B:ASN59 4.3 32.3 1.0
C B:ASP57 4.3 35.1 1.0
N B:GLU89 4.4 36.5 1.0
CG B:TRP58 4.4 34.7 1.0
C B:ASN59 4.5 33.3 1.0
OE1 B:GLU89 4.5 49.9 1.0
C B:THR87 4.6 33.7 1.0
MG A:MG301 4.6 42.5 1.0
CB B:ASP57 4.7 38.4 1.0
CD B:GLU89 4.7 48.5 1.0
CB B:GLU89 4.7 35.4 1.0
CA B:ASP57 4.8 35.0 1.0
O B:TRP58 4.8 25.2 1.0
CG2 B:THR87 4.8 34.3 1.0
CA B:ALA88 4.9 31.1 1.0
CG B:ASN59 5.0 30.8 1.0
CB B:ALA88 5.0 14.5 1.0
CD1 B:TRP58 5.0 40.3 1.0

Fluorine binding site 6 out of 9 in 1f4v

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Fluorine binding site 6 out of 9 in the Crystal Structure of Activated Chey Bound to the N-Terminus of Flim


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 Activated Chey Bound to the N-Terminus of Flim within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F130

b:31.9
occ:1.00
 F3 B:BEF130 0.0 31.9 1.0
BE B:BEF130 1.5 35.5 1.0
F1 B:BEF130 2.5 30.8 1.0
F2 B:BEF130 2.5 33.6 1.0
OD1 B:ASP57 2.5 23.3 1.0
N B:ALA88 3.0 30.6 1.0
NZ B:LYS109 3.0 23.8 1.0
O B:HOH313 3.3 40.2 1.0
OG1 B:THR87 3.4 29.6 1.0
CE B:LYS109 3.5 22.4 1.0
CG B:ASP57 3.5 33.8 1.0
CD B:LYS109 3.6 20.9 1.0
CA B:THR87 3.6 33.4 1.0
CG A:MET129 3.7 56.3 1.0
CB B:ALA88 3.7 14.5 1.0
C B:THR87 3.8 33.7 1.0
OD2 B:ASP57 3.9 30.8 1.0
CA B:ALA88 4.0 31.1 1.0
CB B:THR87 4.0 31.6 1.0
O B:HOH324 4.1 34.9 1.0
SD A:MET129 4.2 55.4 1.0
MG A:MG301 4.2 42.5 1.0
O B:VAL86 4.5 36.4 1.0
N B:TRP58 4.7 35.1 1.0
CG B:LYS109 4.7 23.9 1.0
CB B:ASP57 4.7 38.4 1.0
N B:GLU89 4.8 36.5 1.0
N B:THR87 4.8 31.3 1.0
OD2 B:ASP12 4.9 28.9 1.0
CB A:MET129 4.9 57.8 1.0
C B:ALA88 4.9 31.5 1.0
O B:THR87 5.0 31.4 1.0
N B:ASN59 5.0 34.1 1.0
O A:GLY128 5.0 34.0 1.0

Fluorine binding site 7 out of 9 in 1f4v

Go back to Fluorine Binding Sites List in 1f4v
Fluorine binding site 7 out of 9 in the Crystal Structure of Activated Chey Bound to the N-Terminus of Flim


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 Activated Chey Bound to the N-Terminus of Flim within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F130

b:58.6
occ:1.00
 F1 C:BEF130 0.0 58.6 1.0
BE C:BEF130 1.5 61.9 1.0
OD2 C:ASP57 2.4 53.1 1.0
F2 C:BEF130 2.4 67.5 1.0
F3 C:BEF130 2.4 70.8 1.0
OD1 C:ASP57 2.5 59.1 1.0
MG C:MG303 2.5 61.8 1.0
CG C:ASP57 2.8 57.8 1.0
O C:HOH333 3.1 66.7 1.0
O C:ASN59 3.2 70.8 1.0
CB C:ASN59 3.3 67.2 1.0
O C:HOH310 3.3 48.1 1.0
N C:ASN59 3.4 66.1 1.0
CA C:ASN59 3.6 68.9 1.0
ND2 C:ASN59 3.6 77.1 1.0
C C:ASN59 3.8 68.2 1.0
CG C:ASN59 3.9 74.4 1.0
OD1 C:ASP13 4.0 49.8 1.0
N C:TRP58 4.3 59.4 1.0
CB C:ASP57 4.3 55.9 1.0
OD2 C:ASP12 4.4 86.8 1.0
C C:TRP58 4.4 65.0 1.0
NZ C:LYS109 4.6 61.9 1.0
CA C:TRP58 4.8 60.7 1.0
CG C:ASP13 4.9 61.2 1.0

Fluorine binding site 8 out of 9 in 1f4v

Go back to Fluorine Binding Sites List in 1f4v
Fluorine binding site 8 out of 9 in the Crystal Structure of Activated Chey Bound to the N-Terminus of Flim


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 Activated Chey Bound to the N-Terminus of Flim within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F130

b:67.5
occ:1.00
 F2 C:BEF130 0.0 67.5 1.0
BE C:BEF130 1.5 61.9 1.0
F1 C:BEF130 2.4 58.6 1.0
OD1 C:ASP57 2.4 59.1 1.0
F3 C:BEF130 2.5 70.8 1.0
OG1 C:THR87 2.7 62.0 1.0
ND2 C:ASN59 3.1 77.1 1.0
N C:ASN59 3.2 66.1 1.0
CB C:THR87 3.3 59.3 1.0
CB C:TRP58 3.4 66.5 1.0
N C:TRP58 3.4 59.4 1.0
CG C:ASP57 3.5 57.8 1.0
CG C:ASN59 3.7 74.4 1.0
CA C:TRP58 3.8 60.7 1.0
N C:ALA88 3.8 54.3 1.0
CA C:THR87 3.9 55.6 1.0
OD2 C:ASP57 3.9 53.1 1.0
CB C:ASN59 4.0 67.2 1.0
C C:TRP58 4.0 65.0 1.0
CA C:ASN59 4.2 68.9 1.0
C C:THR87 4.4 54.3 1.0
C C:ASP57 4.5 58.6 1.0
CG C:TRP58 4.5 77.6 1.0
N C:GLU89 4.6 55.5 1.0
OD1 C:ASN59 4.6 77.6 1.0
O C:HOH333 4.7 66.7 1.0
CG2 C:THR87 4.7 58.9 1.0
CB C:ASP57 4.7 55.9 1.0
CA C:ASP57 4.9 57.4 1.0
CA C:ALA88 4.9 57.1 1.0
NZ C:LYS109 4.9 61.9 1.0
CB C:ALA88 4.9 53.1 1.0
O C:ASN59 4.9 70.8 1.0
MG C:MG303 5.0 61.8 1.0
CB C:GLU89 5.0 59.2 1.0

Fluorine binding site 9 out of 9 in 1f4v

Go back to Fluorine Binding Sites List in 1f4v
Fluorine binding site 9 out of 9 in the Crystal Structure of Activated Chey Bound to the N-Terminus of Flim


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 Activated Chey Bound to the N-Terminus of Flim within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F130

b:70.8
occ:1.00
 F3 C:BEF130 0.0 70.8 1.0
BE C:BEF130 1.5 61.9 1.0
F1 C:BEF130 2.4 58.6 1.0
F2 C:BEF130 2.5 67.5 1.0
OD1 C:ASP57 2.5 59.1 1.0
NZ C:LYS109 2.9 61.9 1.0
CG C:ASP57 3.4 57.8 1.0
O C:HOH310 3.5 48.1 1.0
CE C:LYS109 3.6 60.8 1.0
N C:ALA88 3.6 54.3 1.0
CD C:LYS109 3.7 57.7 1.0
OD2 C:ASP57 3.8 53.1 1.0
CA C:THR87 4.0 55.6 1.0
OG1 C:THR87 4.1 62.0 1.0
CB C:ALA88 4.2 53.1 1.0
C C:THR87 4.3 54.3 1.0
O C:HOH333 4.4 66.7 1.0
MG C:MG303 4.4 61.8 1.0
CB C:THR87 4.4 59.3 1.0
CA C:ALA88 4.5 57.1 1.0
CB C:ASP57 4.6 55.9 1.0
O C:VAL86 4.7 58.9 1.0
ND2 C:ASN59 4.7 77.1 1.0
OD1 C:ASP12 4.8 84.3 1.0
N C:TRP58 4.8 59.4 1.0
CG C:LYS109 4.9 61.6 1.0

Reference:

S.Y.Lee, H.S.Cho, J.G.Pelton, D.Yan, R.K.Henderson, D.S.King, L.Huang, S.Kustu, E.A.Berry, D.E.Wemmer. Crystal Structure of An Activated Response Regulator Bound to Its Target. Nat.Struct.Biol. V. 8 52 2001.
ISSN: ISSN 1072-8368
PubMed: 11135671
DOI: 10.1038/83053
Page generated: Wed Jul 31 11:15:09 2024

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