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Fluorine in PDB 3l70: Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound

Enzymatic activity of Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound

All present enzymatic activity of Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound:
1.10.2.2;

Protein crystallography data

The structure of Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound, PDB code: 3l70 was solved by L.Huang, E.A.Berry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.99 / 2.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 169.614, 181.993, 240.540, 90.00, 90.00, 90.00
R / Rfree (%) 26.7 / 29.7

Other elements in 3l70:

The structure of Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound also contains other interesting chemical elements:

Iron (Fe) 10 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound (pdb code 3l70). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound, PDB code: 3l70:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3l70

Go back to Fluorine Binding Sites List in 3l70
Fluorine binding site 1 out of 6 in the Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:87.3
occ:0.99
 FAO C:JZV2001 0.0 87.3 1.0
CAW C:JZV2001 1.3 84.7 1.0
FAX C:JZV2001 2.2 86.4 1.0
FBC C:JZV2001 2.2 86.9 1.0
CAV C:JZV2001 2.4 80.8 1.0
CAU C:JZV2001 2.9 74.3 1.0
CBB C:JZV2001 3.5 78.4 1.0
CG C:PHE129 4.0 34.5 1.0
CB C:PHE129 4.1 31.8 1.0
CD1 C:PHE129 4.1 36.2 1.0
CAT C:JZV2001 4.3 69.1 1.0
CD2 C:PHE129 4.4 33.2 1.0
CBA C:JZV2001 4.6 75.9 1.0
CG2 C:ILE147 4.7 38.9 1.0
CE1 C:PHE129 4.7 37.1 1.0
CE2 C:PHE129 4.9 32.6 1.0
CA C:ALA126 4.9 30.4 1.0
CAZ C:JZV2001 5.0 73.4 1.0
O C:MET125 5.0 30.4 1.0

Fluorine binding site 2 out of 6 in 3l70

Go back to Fluorine Binding Sites List in 3l70
Fluorine binding site 2 out of 6 in the Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:86.4
occ:0.99
 FAX C:JZV2001 0.0 86.4 1.0
CAW C:JZV2001 1.3 84.7 1.0
FAO C:JZV2001 2.2 87.3 1.0
FBC C:JZV2001 2.2 86.9 1.0
CAV C:JZV2001 2.4 80.8 1.0
CBB C:JZV2001 2.7 78.4 1.0
CAU C:JZV2001 3.7 74.3 1.0
CB C:MET125 3.9 33.8 1.0
N C:ALA126 4.1 30.3 1.0
CBA C:JZV2001 4.1 75.9 1.0
C C:MET125 4.2 30.6 1.0
CA C:ALA126 4.3 30.4 1.0
O C:MET125 4.5 30.4 1.0
CA C:MET125 4.7 31.0 1.0
CAT C:JZV2001 4.8 69.1 1.0
CB C:ALA126 4.8 27.8 1.0
O C:LEU122 4.9 30.2 1.0
CAZ C:JZV2001 5.0 73.4 1.0

Fluorine binding site 3 out of 6 in 3l70

Go back to Fluorine Binding Sites List in 3l70
Fluorine binding site 3 out of 6 in the Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:86.9
occ:0.99
 FBC C:JZV2001 0.0 86.9 1.0
CAW C:JZV2001 1.3 84.7 1.0
FAX C:JZV2001 2.2 86.4 1.0
FAO C:JZV2001 2.2 87.3 1.0
CAV C:JZV2001 2.3 80.8 1.0
CAU C:JZV2001 3.0 74.3 1.0
O C:MET125 3.1 30.4 1.0
C C:MET125 3.4 30.6 1.0
CB C:PHE129 3.4 31.8 1.0
CBB C:JZV2001 3.4 78.4 1.0
CZ C:PHE275 3.6 33.8 1.0
CB C:MET125 3.7 33.8 1.0
N C:ALA126 3.8 30.3 1.0
CA C:ALA126 4.0 30.4 1.0
CG C:PHE129 4.0 34.5 1.0
CA C:MET125 4.1 31.0 1.0
CE1 C:PHE275 4.1 33.4 1.0
CE2 C:PHE275 4.2 36.6 1.0
CAT C:JZV2001 4.2 69.1 1.0
CD1 C:PHE129 4.3 36.2 1.0
CA C:PHE129 4.5 28.4 1.0
CBA C:JZV2001 4.6 75.9 1.0
N C:PHE129 4.7 28.8 1.0
C C:ALA126 4.9 31.9 1.0
CD2 C:PHE129 4.9 33.2 1.0
CAZ C:JZV2001 4.9 73.4 1.0
OAQ C:JZV2001 4.9 53.1 1.0
CG C:MET125 5.0 37.0 1.0
O C:ALA126 5.0 31.4 1.0

Fluorine binding site 4 out of 6 in 3l70

Go back to Fluorine Binding Sites List in 3l70
Fluorine binding site 4 out of 6 in the Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
P:F3001

b:1.0
occ:0.99
 FAO P:JZV3001 0.0 1.0 1.0
CAW P:JZV3001 1.3 0.1 1.0
FAX P:JZV3001 2.2 0.9 1.0
FBC P:JZV3001 2.2 0.7 1.0
CAV P:JZV3001 2.4 0.8 1.0
CAU P:JZV3001 3.0 98.0 1.0
CBB P:JZV3001 3.5 0.3 1.0
CG P:PHE129 4.1 42.4 1.0
CB P:PHE129 4.2 41.8 1.0
CD1 P:PHE129 4.3 44.1 1.0
CAT P:JZV3001 4.3 95.2 1.0
CD2 P:PHE129 4.4 44.9 1.0
CBA P:JZV3001 4.6 98.3 1.0
CG2 P:ILE147 4.7 50.6 1.0
CE1 P:PHE129 4.8 46.9 1.0
CE2 P:PHE129 4.9 46.8 1.0
CAZ P:JZV3001 4.9 97.2 1.0

Fluorine binding site 5 out of 6 in 3l70

Go back to Fluorine Binding Sites List in 3l70
Fluorine binding site 5 out of 6 in the Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
P:F3001

b:0.9
occ:0.99
 FAX P:JZV3001 0.0 0.9 1.0
CAW P:JZV3001 1.3 0.1 1.0
FBC P:JZV3001 2.2 0.7 1.0
FAO P:JZV3001 2.2 1.0 1.0
CAV P:JZV3001 2.4 0.8 1.0
CBB P:JZV3001 2.7 0.3 1.0
CAU P:JZV3001 3.7 98.0 1.0
CB P:MET125 3.8 45.6 1.0
N P:ALA126 4.1 42.4 1.0
CBA P:JZV3001 4.1 98.3 1.0
C P:MET125 4.3 43.2 1.0
CA P:ALA126 4.4 41.4 1.0
O P:MET125 4.7 43.7 1.0
CA P:MET125 4.7 44.3 1.0
CAT P:JZV3001 4.8 95.2 1.0
SD P:MET125 4.8 54.1 1.0
O P:LEU122 4.9 42.5 1.0
CG P:MET125 4.9 50.5 1.0
CB P:ALA126 4.9 37.2 1.0
CAZ P:JZV3001 5.0 97.2 1.0

Fluorine binding site 6 out of 6 in 3l70

Go back to Fluorine Binding Sites List in 3l70
Fluorine binding site 6 out of 6 in the Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Cytochrome BC1 Complex From Chicken with Trifloxystrobin Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
P:F3001

b:0.7
occ:0.99
 FBC P:JZV3001 0.0 0.7 1.0
CAW P:JZV3001 1.3 0.1 1.0
FAX P:JZV3001 2.2 0.9 1.0
FAO P:JZV3001 2.2 1.0 1.0
CAV P:JZV3001 2.3 0.8 1.0
CAU P:JZV3001 3.0 98.0 1.0
O P:MET125 3.3 43.7 1.0
CB P:PHE129 3.4 41.8 1.0
CBB P:JZV3001 3.4 0.3 1.0
C P:MET125 3.4 43.2 1.0
CZ P:PHE275 3.6 52.3 1.0
CB P:MET125 3.7 45.6 1.0
N P:ALA126 3.8 42.4 1.0
CG P:PHE129 4.0 42.4 1.0
CA P:ALA126 4.0 41.4 1.0
CA P:MET125 4.1 44.3 1.0
CE1 P:PHE275 4.2 52.5 1.0
CE2 P:PHE275 4.3 54.2 1.0
CAT P:JZV3001 4.3 95.2 1.0
CD1 P:PHE129 4.3 44.1 1.0
CA P:PHE129 4.5 41.2 1.0
CBA P:JZV3001 4.6 98.3 1.0
N P:PHE129 4.7 39.2 1.0
CD2 P:PHE129 4.8 44.9 1.0
C P:ALA126 4.9 40.9 1.0
CG P:MET125 4.9 50.5 1.0
CAZ P:JZV3001 4.9 97.2 1.0

Reference:

L.Huang, E.A.Berry. Famoxadone and Related Inhibitors Bind Like Methoxy Acrylate Inhibitors in the Qo Site of the BC1 Compl and Fix the Rieske Iron-Sulfur Protein in A Positio Close to But Distinct From That Seen with Stigmatellin and Other "Distal" Qo Inhibitors. To Be Published.
Page generated: Sun Dec 13 11:50:04 2020

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