Atomistry » Fluorine » PDB 6fex-6g0f » 6fs7
Atomistry »
  Fluorine »
    PDB 6fex-6g0f »
      6fs7 »

Fluorine in PDB 6fs7: Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)

Protein crystallography data

The structure of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa), PDB code: 6fs7 was solved by S.Cusack, V.Speranzini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 90.64 / 1.96
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 135.680, 75.560, 121.800, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 21.1

Other elements in 6fs7:

The structure of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) also contains other interesting chemical elements:

Manganese (Mn) 12 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) (pdb code 6fs7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa), PDB code: 6fs7:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 6fs7

Go back to Fluorine Binding Sites List in 6fs7
Fluorine binding site 1 out of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:36.6
occ:1.00
F2 A:E4Z903 0.0 36.6 1.0
C23 A:E4Z903 1.3 36.0 1.0
C24 A:E4Z903 2.3 35.5 1.0
C22 A:E4Z903 2.4 37.5 1.0
F1 A:E4Z903 2.7 40.0 1.0
CG A:GLU26 3.3 39.3 1.0
CB A:TYR24 3.4 47.2 1.0
CA A:MET21 3.4 35.8 1.0
C13 A:E4Z903 3.6 32.3 1.0
C21 A:E4Z903 3.6 39.2 1.0
CB A:GLU26 3.7 40.0 1.0
O A:MET21 3.7 34.5 1.0
CG A:MET21 3.9 36.7 1.0
CB A:MET21 4.0 33.6 1.0
C A:MET21 4.1 28.9 1.0
O A:ALA20 4.1 32.6 1.0
C12 A:E4Z903 4.1 29.6 1.0
N A:MET21 4.3 31.1 1.0
CG A:TYR24 4.4 48.7 1.0
CA A:TYR24 4.4 37.6 1.0
O A:TYR24 4.4 49.8 1.0
C A:TYR24 4.4 40.2 1.0
CD A:GLU26 4.5 54.5 1.0
C A:ALA20 4.6 31.9 1.0
N A:GLU26 4.6 39.1 1.0
CD A:LYS34 4.6 37.6 1.0
CA A:GLU26 4.7 37.0 1.0
N A:TYR24 4.8 38.4 1.0
OE2 A:GLU26 4.8 65.0 1.0
CD1 A:TYR24 4.8 53.7 1.0
C14 A:E4Z903 4.8 33.7 1.0
CE A:MET21 5.0 38.0 1.0

Fluorine binding site 2 out of 12 in 6fs7

Go back to Fluorine Binding Sites List in 6fs7
Fluorine binding site 2 out of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:40.0
occ:1.00
F1 A:E4Z903 0.0 40.0 1.0
C24 A:E4Z903 1.3 35.5 1.0
C23 A:E4Z903 2.3 36.0 1.0
C13 A:E4Z903 2.4 32.3 1.0
F2 A:E4Z903 2.7 36.6 1.0
C14 A:E4Z903 2.8 33.7 1.0
CD A:LYS34 3.4 37.6 1.0
C22 A:E4Z903 3.6 37.5 1.0
C12 A:E4Z903 3.6 29.6 1.0
CG A:GLU26 3.7 39.3 1.0
OE2 A:GLU26 3.7 65.0 1.0
NZ A:LYS34 3.7 55.4 1.0
CE A:LYS34 3.9 49.4 1.0
S3 A:E4Z903 3.9 37.6 1.0
CD A:GLU26 4.0 54.5 1.0
C21 A:E4Z903 4.1 39.2 1.0
NZ B:LYS104 4.2 75.8 1.0
CG A:LYS34 4.5 39.9 1.0
CB A:GLU26 4.7 40.0 1.0
CB A:TYR24 4.8 47.2 1.0
O D:GLU198 4.9 56.5 1.0
C11 A:E4Z903 4.9 34.8 1.0
OE1 A:GLU26 4.9 55.0 1.0

Fluorine binding site 3 out of 12 in 6fs7

Go back to Fluorine Binding Sites List in 6fs7
Fluorine binding site 3 out of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:35.8
occ:1.00
F2 B:E4Z903 0.0 35.8 1.0
C23 B:E4Z903 1.3 34.0 1.0
C22 B:E4Z903 2.4 31.1 1.0
C24 B:E4Z903 2.4 36.6 1.0
F1 B:E4Z903 2.7 40.9 1.0
CG B:GLU26 3.3 49.1 1.0
CB B:TYR24 3.4 48.6 1.0
CA B:MET21 3.4 31.8 1.0
C21 B:E4Z903 3.6 29.2 1.0
C13 B:E4Z903 3.6 27.4 1.0
CB B:GLU26 3.7 40.7 1.0
O B:MET21 3.7 32.1 1.0
CG B:MET21 3.9 37.1 1.0
CB B:MET21 4.0 29.5 1.0
O B:ALA20 4.0 36.3 1.0
C B:MET21 4.1 32.7 1.0
C12 B:E4Z903 4.1 28.5 1.0
CG B:TYR24 4.3 52.9 1.0
N B:MET21 4.3 27.8 1.0
CA B:TYR24 4.4 43.8 1.0
CD B:GLU26 4.5 53.0 1.0
C B:TYR24 4.5 40.2 1.0
C B:ALA20 4.5 36.2 1.0
CD B:LYS34 4.6 40.4 1.0
O B:TYR24 4.6 48.2 1.0
N B:GLU26 4.7 38.4 1.0
CD1 B:TYR24 4.7 60.5 1.0
N B:TYR24 4.7 39.6 1.0
CA B:GLU26 4.8 39.2 1.0
C14 B:E4Z903 4.9 29.4 1.0
OE2 B:GLU26 4.9 60.9 1.0

Fluorine binding site 4 out of 12 in 6fs7

Go back to Fluorine Binding Sites List in 6fs7
Fluorine binding site 4 out of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:40.9
occ:1.00
F1 B:E4Z903 0.0 40.9 1.0
C24 B:E4Z903 1.3 36.6 1.0
C23 B:E4Z903 2.4 34.0 1.0
C13 B:E4Z903 2.4 27.4 1.0
F2 B:E4Z903 2.7 35.8 1.0
C14 B:E4Z903 2.8 29.4 1.0
CD B:LYS34 3.3 40.4 1.0
NZ B:LYS34 3.6 49.0 1.0
C22 B:E4Z903 3.6 31.1 1.0
C12 B:E4Z903 3.6 28.5 1.0
CE B:LYS34 3.7 45.8 1.0
CG B:GLU26 3.8 49.1 1.0
OE2 B:GLU26 3.8 60.9 1.0
S3 B:E4Z903 3.9 33.9 1.0
CD B:GLU26 4.0 53.0 1.0
C21 B:E4Z903 4.1 29.2 1.0
CG B:LYS34 4.4 38.6 1.0
CB B:GLU26 4.8 40.7 1.0
CB B:TYR24 4.9 48.6 1.0
C11 B:E4Z903 4.9 27.4 1.0
OE1 B:GLU26 5.0 63.7 1.0
OXT C:GLU198 5.0 30.0 1.0

Fluorine binding site 5 out of 12 in 6fs7

Go back to Fluorine Binding Sites List in 6fs7
Fluorine binding site 5 out of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F903

b:40.5
occ:1.00
F2 C:E4Z903 0.0 40.5 1.0
C23 C:E4Z903 1.3 43.9 1.0
C24 C:E4Z903 2.4 39.0 1.0
C22 C:E4Z903 2.4 39.2 1.0
F1 C:E4Z903 2.7 38.4 1.0
CG C:GLU26 3.3 55.2 1.0
CA C:MET21 3.4 39.1 1.0
CB C:TYR24 3.4 47.1 1.0
C21 C:E4Z903 3.6 34.9 1.0
C13 C:E4Z903 3.6 36.5 1.0
CB C:GLU26 3.6 47.8 1.0
O C:MET21 3.7 43.9 1.0
CG C:MET21 3.9 38.0 1.0
CB C:MET21 4.0 31.9 1.0
C C:MET21 4.1 36.2 1.0
O C:ALA20 4.1 37.8 1.0
C12 C:E4Z903 4.1 33.0 1.0
N C:MET21 4.3 35.6 1.0
CG C:TYR24 4.4 52.2 1.0
CA C:TYR24 4.4 46.5 1.0
CD C:GLU26 4.5 61.4 1.0
C C:TYR24 4.5 40.6 1.0
C C:ALA20 4.5 40.9 1.0
O C:TYR24 4.6 48.6 1.0
N C:GLU26 4.6 44.8 1.0
CD C:LYS34 4.7 46.9 1.0
CA C:GLU26 4.7 41.9 1.0
N C:TYR24 4.8 50.8 1.0
CD1 C:TYR24 4.8 56.2 1.0
C14 C:E4Z903 4.9 31.2 1.0
OE2 C:GLU26 4.9 71.9 1.0
CE C:MET21 4.9 34.2 1.0

Fluorine binding site 6 out of 12 in 6fs7

Go back to Fluorine Binding Sites List in 6fs7
Fluorine binding site 6 out of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F903

b:38.4
occ:1.00
F1 C:E4Z903 0.0 38.4 1.0
C24 C:E4Z903 1.3 39.0 1.0
C23 C:E4Z903 2.4 43.9 1.0
C13 C:E4Z903 2.4 36.5 1.0
F2 C:E4Z903 2.7 40.5 1.0
C14 C:E4Z903 2.8 31.2 1.0
CD C:LYS34 3.4 46.9 1.0
C22 C:E4Z903 3.6 39.2 1.0
NZ C:LYS34 3.6 52.6 1.0
C12 C:E4Z903 3.6 33.0 1.0
CG C:GLU26 3.7 55.2 1.0
OE2 C:GLU26 3.7 71.9 1.0
CE C:LYS34 3.9 48.4 1.0
S3 C:E4Z903 3.9 36.0 1.0
CD C:GLU26 3.9 61.4 1.0
C21 C:E4Z903 4.1 34.9 1.0
NZ D:LYS104 4.2 82.9 1.0
CG C:LYS34 4.5 38.2 1.0
CB C:GLU26 4.6 47.8 1.0
OE1 C:GLU26 4.8 64.5 1.0
OXT B:GLU198 4.9 30.0 1.0
C11 C:E4Z903 4.9 36.4 1.0
CB C:TYR24 4.9 47.1 1.0

Fluorine binding site 7 out of 12 in 6fs7

Go back to Fluorine Binding Sites List in 6fs7
Fluorine binding site 7 out of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F903

b:33.8
occ:1.00
F2 D:E4Z903 0.0 33.8 1.0
C23 D:E4Z903 1.3 33.3 1.0
C22 D:E4Z903 2.4 34.2 1.0
C24 D:E4Z903 2.4 35.2 1.0
F1 D:E4Z903 2.7 35.4 1.0
CG D:GLU26 3.2 45.0 1.0
CA D:MET21 3.4 33.5 1.0
CB D:TYR24 3.5 46.4 1.0
CB D:GLU26 3.5 40.3 1.0
C21 D:E4Z903 3.6 31.5 1.0
C13 D:E4Z903 3.6 26.3 1.0
O D:MET21 3.7 35.3 1.0
CG D:MET21 3.8 33.9 1.0
CB D:MET21 4.0 34.4 1.0
C D:MET21 4.0 27.9 1.0
O D:ALA20 4.1 32.4 1.0
C12 D:E4Z903 4.1 26.8 1.0
N D:MET21 4.4 30.7 1.0
CD D:GLU26 4.4 53.1 1.0
CG D:TYR24 4.4 50.0 1.0
CA D:TYR24 4.4 39.5 1.0
C D:TYR24 4.5 37.9 1.0
N D:GLU26 4.6 44.0 1.0
O D:TYR24 4.6 40.9 1.0
C D:ALA20 4.6 30.1 1.0
CD D:LYS34 4.6 35.8 1.0
CA D:GLU26 4.7 40.5 1.0
N D:TYR24 4.8 43.4 1.0
OE2 D:GLU26 4.8 70.1 1.0
CD1 D:TYR24 4.8 52.8 1.0
C14 D:E4Z903 4.9 30.9 1.0
CE D:MET21 4.9 33.0 1.0

Fluorine binding site 8 out of 12 in 6fs7

Go back to Fluorine Binding Sites List in 6fs7
Fluorine binding site 8 out of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F903

b:35.4
occ:1.00
F1 D:E4Z903 0.0 35.4 1.0
C24 D:E4Z903 1.3 35.2 1.0
C23 D:E4Z903 2.4 33.3 1.0
C13 D:E4Z903 2.4 26.3 1.0
F2 D:E4Z903 2.7 33.8 1.0
C14 D:E4Z903 2.8 30.9 1.0
CD D:LYS34 3.3 35.8 1.0
O A:HOH1005 3.5 46.0 1.0
C22 D:E4Z903 3.6 34.2 1.0
C12 D:E4Z903 3.6 26.8 1.0
NZ D:LYS34 3.6 48.1 1.0
CG D:GLU26 3.6 45.0 1.0
OE2 D:GLU26 3.7 70.1 1.0
CE D:LYS34 3.8 37.8 1.0
S3 D:E4Z903 3.9 35.1 1.0
CD D:GLU26 3.9 53.1 1.0
C21 D:E4Z903 4.1 31.5 1.0
CG D:LYS34 4.4 34.4 1.0
CB D:GLU26 4.6 40.3 1.0
OE1 D:GLU26 4.8 51.6 1.0
CB D:TYR24 4.9 46.4 1.0
C11 D:E4Z903 4.9 25.0 1.0

Fluorine binding site 9 out of 12 in 6fs7

Go back to Fluorine Binding Sites List in 6fs7
Fluorine binding site 9 out of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F903

b:39.7
occ:1.00
F2 E:E4Z903 0.0 39.7 1.0
C23 E:E4Z903 1.3 40.9 1.0
C24 E:E4Z903 2.4 39.3 1.0
C22 E:E4Z903 2.4 39.7 1.0
F1 E:E4Z903 2.7 41.8 1.0
CG E:GLU26 3.3 47.8 1.0
CA E:MET21 3.3 34.1 1.0
CB E:TYR24 3.4 46.1 1.0
C21 E:E4Z903 3.6 36.1 1.0
C13 E:E4Z903 3.6 36.2 1.0
CB E:GLU26 3.7 43.7 1.0
O E:MET21 3.7 37.1 1.0
CG E:MET21 3.8 42.1 1.0
CB E:MET21 3.9 33.0 1.0
C E:MET21 4.0 32.4 1.0
O E:ALA20 4.0 43.0 1.0
C12 E:E4Z903 4.1 39.6 1.0
N E:MET21 4.2 34.2 1.0
CG E:TYR24 4.3 53.8 1.0
CA E:TYR24 4.4 38.9 1.0
C E:ALA20 4.5 42.0 1.0
CD E:GLU26 4.5 59.1 1.0
C E:TYR24 4.5 43.9 1.0
O E:TYR24 4.6 49.0 1.0
N E:GLU26 4.6 42.8 1.0
CD E:LYS34 4.7 44.6 1.0
N E:TYR24 4.7 44.1 1.0
CA E:GLU26 4.8 45.3 1.0
CD1 E:TYR24 4.8 50.7 1.0
C14 E:E4Z903 4.9 37.1 1.0
OE2 E:GLU26 4.9 63.7 1.0
CE E:MET21 4.9 36.9 1.0

Fluorine binding site 10 out of 12 in 6fs7

Go back to Fluorine Binding Sites List in 6fs7
Fluorine binding site 10 out of 12 in the Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Influenza A/California/04/2009 (PH1N1) Endonuclease with I38T Mutation with Bound Inhibitor, Baloxavir Acid (Bxa) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F903

b:41.8
occ:1.00
F1 E:E4Z903 0.0 41.8 1.0
C24 E:E4Z903 1.3 39.3 1.0
C23 E:E4Z903 2.4 40.9 1.0
C13 E:E4Z903 2.4 36.2 1.0
F2 E:E4Z903 2.7 39.7 1.0
C14 E:E4Z903 2.8 37.1 1.0
CD E:LYS34 3.3 44.6 1.0
CG E:GLU26 3.6 47.8 1.0
C22 E:E4Z903 3.6 39.7 1.0
C12 E:E4Z903 3.6 39.6 1.0
OE2 E:GLU26 3.7 63.7 1.0
NZ E:LYS34 3.7 47.4 1.0
CE E:LYS34 3.8 51.9 1.0
CD E:GLU26 3.9 59.1 1.0
S3 E:E4Z903 3.9 38.2 1.0
C21 E:E4Z903 4.1 36.1 1.0
CG E:LYS34 4.4 40.9 1.0
CB E:GLU26 4.6 43.7 1.0
OE1 E:GLU26 4.8 60.0 1.0
CB E:TYR24 4.8 46.1 1.0
OXT F:GLU198 4.9 30.0 1.0
C11 E:E4Z903 4.9 36.8 1.0

Reference:

S.Omoto, V.Speranzini, T.Hashimoto, T.Noshi, H.Yamaguchi, M.Kawai, K.Kawaguchi, T.Uehara, T.Shishido, A.Naito, S.Cusack. Characterization of Influenza Virus Variants Induced By Treatment with the Endonuclease Inhibitor Baloxavir Marboxil. Sci Rep V. 8 9633 2018.
ISSN: ESSN 2045-2322
PubMed: 29941893
DOI: 10.1038/S41598-018-27890-4
Page generated: Thu Aug 1 20:12:46 2024

Last articles

Cl in 2VD9
Cl in 2VD8
Cl in 2VCE
Cl in 2VD4
Cl in 2VCJ
Cl in 2VCG
Cl in 2VBS
Cl in 2VB9
Cl in 2VBV
Cl in 2VB8
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy