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Fluorine in PDB 1fqw: Crystal Structure of Activated Chey

Protein crystallography data

The structure of Crystal Structure of Activated Chey, PDB code: 1fqw was solved by S.Y.Lee, H.S.Cho, J.G.Pelton, D.Yan, 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) 15.00 / 2.37
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.684, 53.911, 161.532, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 24

Other elements in 1fqw:

The structure of Crystal Structure of Activated Chey also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Fluorine Binding Sites:

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

Fluorine binding site 1 out of 6 in 1fqw

Go back to Fluorine Binding Sites List in 1fqw
Fluorine binding site 1 out of 6 in the Crystal Structure of Activated Chey


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F130

b:40.3
occ:1.00
 F1 A:BEF130 0.0 40.3 1.0
BE A:BEF130 1.5 31.1 1.0
MN A:MN202 2.1 33.1 1.0
F3 A:BEF130 2.4 34.0 1.0
OD1 A:ASP57 2.4 19.3 1.0
F2 A:BEF130 2.5 34.6 1.0
OD2 A:ASP57 2.6 25.4 1.0
CG A:ASP57 2.8 26.2 1.0
O A:HOH206 3.3 37.7 1.0
O A:ASN59 3.3 27.0 1.0
N A:ASN59 3.5 37.4 1.0
CB A:ASN59 3.5 45.5 1.0
O A:HOH231 3.5 35.9 1.0
O A:HOH280 3.6 60.3 1.0
O A:HOH260 3.6 57.8 1.0
CA A:ASN59 3.8 38.1 1.0
C A:ASN59 4.0 37.9 1.0
NZ A:LYS109 4.1 32.0 1.0
N A:TRP58 4.2 35.2 1.0
CB A:ASP57 4.3 26.6 1.0
OD1 A:ASP13 4.3 44.5 1.0
C A:TRP58 4.5 37.1 1.0
CG A:ASN59 4.6 65.8 1.0
ND2 A:ASN59 4.7 70.9 1.0
OG1 A:THR87 4.8 29.6 1.0
CA A:TRP58 4.8 38.1 1.0
OD2 A:ASP12 4.8 33.3 1.0

Fluorine binding site 2 out of 6 in 1fqw

Go back to Fluorine Binding Sites List in 1fqw
Fluorine binding site 2 out of 6 in the Crystal Structure of Activated Chey


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F130

b:34.6
occ:1.00
 F2 A:BEF130 0.0 34.6 1.0
BE A:BEF130 1.5 31.1 1.0
F1 A:BEF130 2.5 40.3 1.0
OD1 A:ASP57 2.5 19.3 1.0
F3 A:BEF130 2.5 34.0 1.0
OG1 A:THR87 2.5 29.6 1.0
N A:TRP58 2.9 35.2 1.0
O A:HOH260 2.9 57.8 1.0
N A:ASN59 3.0 37.4 1.0
CB A:TRP58 3.1 30.8 1.0
CB A:THR87 3.2 21.5 1.0
CA A:TRP58 3.4 38.1 1.0
CG A:ASP57 3.4 26.2 1.0
C A:TRP58 3.7 37.1 1.0
CA A:THR87 3.8 28.7 1.0
N A:ALA88 3.8 22.3 1.0
CB A:ASN59 4.0 45.5 1.0
OD2 A:ASP57 4.0 25.4 1.0
CA A:ASN59 4.1 38.1 1.0
C A:ASP57 4.1 31.9 1.0
C A:THR87 4.3 28.2 1.0
MN A:MN202 4.4 33.1 1.0
CG A:TRP58 4.5 39.5 1.0
CA A:ASP57 4.5 29.8 1.0
CG A:GLU89 4.5 51.5 1.0
CB A:ASP57 4.6 26.6 1.0
N A:GLU89 4.6 30.8 1.0
CG2 A:THR87 4.6 25.2 1.0
O A:ASN59 4.8 27.0 1.0
O A:VAL86 4.9 36.0 1.0
C A:ASN59 4.9 37.9 1.0
O A:HOH280 4.9 60.3 1.0
O A:TRP58 4.9 37.1 1.0
CA A:ALA88 4.9 28.1 1.0
NZ A:LYS109 4.9 32.0 1.0

Fluorine binding site 3 out of 6 in 1fqw

Go back to Fluorine Binding Sites List in 1fqw
Fluorine binding site 3 out of 6 in the Crystal Structure of Activated Chey


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F130

b:34.0
occ:1.00
 F3 A:BEF130 0.0 34.0 1.0
BE A:BEF130 1.5 31.1 1.0
F1 A:BEF130 2.4 40.3 1.0
OD1 A:ASP57 2.5 19.3 1.0
F2 A:BEF130 2.5 34.6 1.0
NZ A:LYS109 2.9 32.0 1.0
N A:ALA88 2.9 22.3 1.0
CE A:LYS109 3.4 28.9 1.0
CA A:THR87 3.4 28.7 1.0
CD A:LYS109 3.5 31.5 1.0
CG A:ASP57 3.5 26.2 1.0
C A:THR87 3.6 28.2 1.0
OG1 A:THR87 3.6 29.6 1.0
CB A:ALA88 3.8 27.2 1.0
CA A:ALA88 3.9 28.1 1.0
CB A:THR87 3.9 21.5 1.0
OD2 A:ASP57 4.0 25.4 1.0
O A:HOH206 4.2 37.7 1.0
MN A:MN202 4.2 33.1 1.0
O A:VAL86 4.4 36.0 1.0
O A:HOH260 4.4 57.8 1.0
CG A:LYS109 4.5 29.0 1.0
O A:HOH280 4.6 60.3 1.0
N A:THR87 4.6 30.9 1.0
N A:TRP58 4.7 35.2 1.0
O A:HOH211 4.7 39.7 1.0
CB A:ASP57 4.8 26.6 1.0
O A:THR87 4.8 31.9 1.0
OD2 A:ASP12 4.8 33.3 1.0
N A:GLU89 4.9 30.8 1.0
C A:VAL86 5.0 28.7 1.0
C A:ALA88 5.0 33.9 1.0

Fluorine binding site 4 out of 6 in 1fqw

Go back to Fluorine Binding Sites List in 1fqw
Fluorine binding site 4 out of 6 in the Crystal Structure of Activated Chey


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F130

b:37.2
occ:1.00
 F1 B:BEF130 0.0 37.2 1.0
BE B:BEF130 1.5 33.9 1.0
MN B:MN201 2.2 36.2 1.0
F2 B:BEF130 2.4 35.8 1.0
OD1 B:ASP57 2.5 24.5 1.0
OD2 B:ASP57 2.5 14.6 1.0
F3 B:BEF130 2.5 29.7 1.0
CG B:ASP57 2.8 26.5 1.0
O B:HOH205 3.1 37.3 1.0
O B:ASN59 3.2 41.3 1.0
O B:HOH241 3.2 49.1 1.0
CB B:ASN59 3.4 37.3 1.0
N B:ASN59 3.5 33.3 1.0
CA B:ASN59 3.8 38.6 1.0
C B:ASN59 3.9 43.4 1.0
NZ B:LYS109 4.2 34.0 1.0
O B:HOH264 4.2 64.6 1.0
OD1 B:ASP13 4.3 29.8 1.0
N B:TRP58 4.4 36.5 1.0
CB B:ASP57 4.4 20.6 1.0
CG B:ASN59 4.5 48.1 1.0
O B:HOH232 4.5 64.3 1.0
C B:TRP58 4.5 37.2 1.0
ND2 B:ASN59 4.6 49.7 1.0
OG1 B:THR87 4.8 36.4 1.0
CA B:TRP58 5.0 34.4 1.0

Fluorine binding site 5 out of 6 in 1fqw

Go back to Fluorine Binding Sites List in 1fqw
Fluorine binding site 5 out of 6 in the Crystal Structure of Activated Chey


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F130

b:35.8
occ:1.00
 F2 B:BEF130 0.0 35.8 1.0
BE B:BEF130 1.5 33.9 1.0
F1 B:BEF130 2.4 37.2 1.0
OD1 B:ASP57 2.4 24.5 1.0
F3 B:BEF130 2.5 29.7 1.0
OG1 B:THR87 2.5 36.4 1.0
N B:ASN59 2.8 33.3 1.0
N B:TRP58 3.1 36.5 1.0
CB B:TRP58 3.2 38.3 1.0
CG B:ASP57 3.4 26.5 1.0
CB B:THR87 3.5 29.9 1.0
CA B:TRP58 3.5 34.4 1.0
C B:TRP58 3.6 37.2 1.0
CB B:ASN59 3.6 37.3 1.0
CA B:ASN59 3.8 38.6 1.0
OD2 B:ASP57 3.8 14.6 1.0
N B:ALA88 4.0 32.3 1.0
CA B:THR87 4.1 28.8 1.0
C B:ASP57 4.3 35.4 1.0
MN B:MN201 4.4 36.2 1.0
CG B:TRP58 4.5 36.6 1.0
C B:THR87 4.5 29.5 1.0
O B:ASN59 4.6 41.3 1.0
N B:GLU89 4.6 35.1 1.0
C B:ASN59 4.6 43.4 1.0
CB B:ASP57 4.6 20.6 1.0
CA B:ASP57 4.7 30.2 1.0
O B:TRP58 4.8 38.3 1.0
CG2 B:THR87 4.8 34.3 1.0
CB B:ALA88 5.0 26.3 1.0
CB B:GLU89 5.0 38.7 1.0
CA B:ALA88 5.0 34.4 1.0
NZ B:LYS109 5.0 34.0 1.0

Fluorine binding site 6 out of 6 in 1fqw

Go back to Fluorine Binding Sites List in 1fqw
Fluorine binding site 6 out of 6 in the Crystal Structure of Activated Chey


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F130

b:29.7
occ:1.00
 F3 B:BEF130 0.0 29.7 1.0
BE B:BEF130 1.6 33.9 1.0
F1 B:BEF130 2.5 37.2 1.0
F2 B:BEF130 2.5 35.8 1.0
OD1 B:ASP57 2.5 24.5 1.0
NZ B:LYS109 3.0 34.0 1.0
N B:ALA88 3.0 32.3 1.0
OG1 B:THR87 3.5 36.4 1.0
CA B:THR87 3.6 28.8 1.0
CB B:ALA88 3.6 26.3 1.0
CD B:LYS109 3.6 33.3 1.0
CG B:ASP57 3.6 26.5 1.0
CE B:LYS109 3.6 38.4 1.0
C B:THR87 3.7 29.5 1.0
CA B:ALA88 3.9 34.4 1.0
O B:HOH205 3.9 37.3 1.0
CB B:THR87 4.0 29.9 1.0
OD2 B:ASP57 4.0 14.6 1.0
MN B:MN201 4.4 36.2 1.0
O B:VAL86 4.6 35.4 1.0
CG B:LYS109 4.7 37.7 1.0
N B:THR87 4.8 33.5 1.0
N B:TRP58 4.8 36.5 1.0
N B:GLU89 4.8 35.1 1.0
CB B:ASP57 4.9 20.6 1.0
O B:THR87 4.9 38.6 1.0
C B:ALA88 4.9 34.0 1.0

Reference:

S.Y.Lee, H.S.Cho, J.G.Pelton, D.Yan, E.A.Berry, D.E.Wemmer. Crystal Structure of Activated Chey. Comparison with Other Activated Receiver Domains. J.Biol.Chem. V. 276 16425 2001.
ISSN: ISSN 0021-9258
PubMed: 11279165
DOI: 10.1074/JBC.M101002200
Page generated: Wed Jul 31 11:19:46 2024

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