Atomistry » Fluorine » PDB 8dxh-8e72 » 8e1q
Atomistry »
  Fluorine »
    PDB 8dxh-8e72 »
      8e1q »

Fluorine in PDB 8e1q: The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044

Protein crystallography data

The structure of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044, PDB code: 8e1q was solved by M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.91 / 2.50
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 88.837, 88.837, 133.209, 90, 90, 90
R / Rfree (%) 22.7 / 26.3

Other elements in 8e1q:

The structure of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 (pdb code 8e1q). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044, PDB code: 8e1q:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 8e1q

Go back to Fluorine Binding Sites List in 8e1q
Fluorine binding site 1 out of 6 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F203

b:123.2
occ:0.48
 F09 A:U0I203 0.0 123.2 0.5
F09 A:U0I203 0.6 123.6 0.5
C08 A:U0I203 1.1 122.9 0.5
C08 A:U0I203 1.4 121.8 0.5
F11 A:U0I203 1.8 121.5 0.5
F10 A:U0I203 2.0 117.6 0.5
F11 A:U0I203 2.2 119.4 0.5
F10 A:U0I203 2.2 115.6 0.5
C07 A:U0I203 2.4 119.7 0.5
C07 A:U0I203 2.4 120.1 0.5
C06 A:U0I203 3.0 116.6 0.5
C05 A:U0I203 3.1 108.6 0.5
C06 A:U0I203 3.3 116.5 0.5
C12 A:U0I203 3.4 116.0 0.5
C05 A:U0I203 3.4 108.0 0.5
C12 A:U0I203 3.4 115.0 0.5
C04 A:U0I203 3.8 105.4 0.5
C04 A:U0I203 4.0 105.4 0.5
C15 A:U0I203 4.3 114.4 0.5
N16 A:U0I203 4.5 104.4 0.5
N16 A:U0I203 4.6 104.6 0.5
C15 A:U0I203 4.6 113.8 0.5
N03 A:U0I203 4.6 94.2 0.5
C13 A:U0I203 4.6 113.0 0.5
C13 A:U0I203 4.7 113.0 0.5
O26 A:U0I203 4.7 102.4 0.5
N03 A:U0I203 4.7 94.3 0.5
NZ A:LYS134 4.9 108.0 1.0

Fluorine binding site 2 out of 6 in 8e1q

Go back to Fluorine Binding Sites List in 8e1q
Fluorine binding site 2 out of 6 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F203

b:123.6
occ:0.52
 F09 A:U0I203 0.0 123.6 0.5
F09 A:U0I203 0.6 123.2 0.5
C08 A:U0I203 1.4 122.9 0.5
C08 A:U0I203 1.7 121.8 0.5
F11 A:U0I203 2.2 121.5 0.5
F10 A:U0I203 2.2 117.6 0.5
C07 A:U0I203 2.4 120.1 0.5
C07 A:U0I203 2.4 119.7 0.5
F10 A:U0I203 2.6 115.6 0.5
F11 A:U0I203 2.7 119.4 0.5
C05 A:U0I203 2.7 108.6 0.5
C06 A:U0I203 2.8 116.6 0.5
C06 A:U0I203 3.0 116.5 0.5
C05 A:U0I203 3.1 108.0 0.5
C12 A:U0I203 3.5 116.0 0.5
C12 A:U0I203 3.5 115.0 0.5
C04 A:U0I203 3.7 105.4 0.5
C04 A:U0I203 3.8 105.4 0.5
C15 A:U0I203 4.1 114.4 0.5
C15 A:U0I203 4.3 113.8 0.5
N16 A:U0I203 4.4 104.4 0.5
N03 A:U0I203 4.5 94.2 0.5
N16 A:U0I203 4.5 104.6 0.5
N03 A:U0I203 4.6 94.3 0.5
C13 A:U0I203 4.6 113.0 0.5
C13 A:U0I203 4.6 113.0 0.5
C14 A:U0I203 4.8 113.2 0.5

Fluorine binding site 3 out of 6 in 8e1q

Go back to Fluorine Binding Sites List in 8e1q
Fluorine binding site 3 out of 6 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F203

b:115.6
occ:0.48
 F10 A:U0I203 0.0 115.6 0.5
F10 A:U0I203 0.4 117.6 0.5
C08 A:U0I203 1.4 121.8 0.5
C08 A:U0I203 1.6 122.9 0.5
F11 A:U0I203 2.2 119.4 0.5
F09 A:U0I203 2.2 123.2 0.5
F11 A:U0I203 2.3 121.5 0.5
C07 A:U0I203 2.4 119.7 0.5
F09 A:U0I203 2.6 123.6 0.5
C07 A:U0I203 2.6 120.1 0.5
C04 A:U0I203 2.9 105.4 0.5
N16 A:U0I203 2.9 104.4 0.5
C06 A:U0I203 3.1 116.6 0.5
N16 A:U0I203 3.1 104.6 0.5
C04 A:U0I203 3.1 105.4 0.5
C05 A:U0I203 3.1 108.6 0.5
C06 A:U0I203 3.3 116.5 0.5
C12 A:U0I203 3.4 115.0 0.5
C05 A:U0I203 3.4 108.0 0.5
C25 A:U0I203 3.5 102.7 0.5
C12 A:U0I203 3.5 116.0 0.5
O26 A:U0I203 3.6 102.4 0.5
N03 A:U0I203 3.7 94.2 0.5
C17 A:U0I203 3.7 97.5 0.5
C17 A:U0I203 3.8 97.6 0.5
N03 A:U0I203 3.8 94.3 0.5
C24 A:U0I203 3.8 100.8 0.5
C27 A:U0I203 3.9 100.8 0.5
C32 A:U0I203 4.4 88.9 0.5
C15 A:U0I203 4.4 114.4 0.5
O28 A:U0I203 4.4 106.6 0.5
C02 A:U0I203 4.4 84.7 0.5
C32 A:U0I203 4.4 89.4 0.5
C02 A:U0I203 4.4 84.7 0.5
NZ A:LYS134 4.4 108.0 1.0
C23 A:U0I203 4.5 96.7 0.5
C18 A:U0I203 4.6 96.8 0.5
C15 A:U0I203 4.6 113.8 0.5
C30 A:U0I203 4.6 96.9 0.5
C18 A:U0I203 4.6 96.8 0.5
C13 A:U0I203 4.6 113.0 0.5
C13 A:U0I203 4.7 113.0 0.5
N19 A:U0I203 4.7 102.2 0.5
N19 A:U0I203 4.8 102.1 0.5
C22 A:U0I203 4.8 92.6 0.5

Fluorine binding site 4 out of 6 in 8e1q

Go back to Fluorine Binding Sites List in 8e1q
Fluorine binding site 4 out of 6 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F203

b:117.6
occ:0.52
 F10 A:U0I203 0.0 117.6 0.5
F10 A:U0I203 0.4 115.6 0.5
C08 A:U0I203 1.2 121.8 0.5
C08 A:U0I203 1.4 122.9 0.5
F09 A:U0I203 2.0 123.2 0.5
F11 A:U0I203 2.2 121.5 0.5
C07 A:U0I203 2.2 119.7 0.5
F09 A:U0I203 2.2 123.6 0.5
F11 A:U0I203 2.3 119.4 0.5
C07 A:U0I203 2.4 120.1 0.5
C04 A:U0I203 2.7 105.4 0.5
C05 A:U0I203 2.8 108.6 0.5
C06 A:U0I203 2.8 116.6 0.5
N16 A:U0I203 2.9 104.4 0.5
C04 A:U0I203 2.9 105.4 0.5
N16 A:U0I203 3.1 104.6 0.5
C06 A:U0I203 3.1 116.5 0.5
C05 A:U0I203 3.1 108.0 0.5
C12 A:U0I203 3.4 115.0 0.5
C12 A:U0I203 3.4 116.0 0.5
N03 A:U0I203 3.6 94.2 0.5
N03 A:U0I203 3.7 94.3 0.5
C17 A:U0I203 3.8 97.5 0.5
C17 A:U0I203 3.8 97.6 0.5
C25 A:U0I203 3.9 102.7 0.5
O26 A:U0I203 3.9 102.4 0.5
C15 A:U0I203 4.1 114.4 0.5
C24 A:U0I203 4.2 100.8 0.5
C27 A:U0I203 4.2 100.8 0.5
C02 A:U0I203 4.3 84.7 0.5
C02 A:U0I203 4.4 84.7 0.5
C15 A:U0I203 4.4 113.8 0.5
NZ A:LYS134 4.4 108.0 1.0
C32 A:U0I203 4.4 88.9 0.5
C32 A:U0I203 4.4 89.4 0.5
C13 A:U0I203 4.5 113.0 0.5
O28 A:U0I203 4.6 106.6 0.5
C13 A:U0I203 4.6 113.0 0.5
C18 A:U0I203 4.7 96.8 0.5
C18 A:U0I203 4.8 96.8 0.5
C23 A:U0I203 4.8 96.7 0.5
C30 A:U0I203 4.9 96.9 0.5
C14 A:U0I203 4.9 113.2 0.5
N19 A:U0I203 4.9 102.2 0.5
N19 A:U0I203 4.9 102.1 0.5

Fluorine binding site 5 out of 6 in 8e1q

Go back to Fluorine Binding Sites List in 8e1q
Fluorine binding site 5 out of 6 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F203

b:119.4
occ:0.48
 F11 A:U0I203 0.0 119.4 0.5
F11 A:U0I203 0.6 121.5 0.5
C08 A:U0I203 1.4 121.8 0.5
C08 A:U0I203 1.7 122.9 0.5
F10 A:U0I203 2.2 115.6 0.5
F09 A:U0I203 2.2 123.2 0.5
F10 A:U0I203 2.3 117.6 0.5
C07 A:U0I203 2.4 119.7 0.5
C07 A:U0I203 2.6 120.1 0.5
C12 A:U0I203 2.6 115.0 0.5
F09 A:U0I203 2.7 123.6 0.5
C12 A:U0I203 2.8 116.0 0.5
O26 A:U0I203 2.9 102.4 0.5
O28 A:U0I203 3.1 106.6 0.5
C25 A:U0I203 3.3 102.7 0.5
C27 A:U0I203 3.4 100.8 0.5
C06 A:U0I203 3.7 116.6 0.5
C06 A:U0I203 4.0 116.5 0.5
C13 A:U0I203 4.0 113.0 0.5
C13 A:U0I203 4.1 113.0 0.5
C29 A:U0I203 4.3 100.0 0.5
C24 A:U0I203 4.3 100.8 0.5
C05 A:U0I203 4.4 108.6 0.5
C30 A:U0I203 4.4 96.9 0.5
N16 A:U0I203 4.7 104.4 0.5
C05 A:U0I203 4.7 108.0 0.5
C04 A:U0I203 4.8 105.4 0.5
C15 A:U0I203 4.8 114.4 0.5
N16 A:U0I203 4.8 104.6 0.5
C14 A:U0I203 4.9 113.2 0.5
C04 A:U0I203 4.9 105.4 0.5

Fluorine binding site 6 out of 6 in 8e1q

Go back to Fluorine Binding Sites List in 8e1q
Fluorine binding site 6 out of 6 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F203

b:121.5
occ:0.52
 F11 A:U0I203 0.0 121.5 0.5
F11 A:U0I203 0.6 119.4 0.5
C08 A:U0I203 1.1 121.8 0.5
C08 A:U0I203 1.4 122.9 0.5
F09 A:U0I203 1.8 123.2 0.5
C07 A:U0I203 2.2 119.7 0.5
F10 A:U0I203 2.2 117.6 0.5
F09 A:U0I203 2.2 123.6 0.5
F10 A:U0I203 2.3 115.6 0.5
C07 A:U0I203 2.4 120.1 0.5
C12 A:U0I203 2.6 115.0 0.5
C12 A:U0I203 2.6 116.0 0.5
C06 A:U0I203 3.4 116.6 0.5
O26 A:U0I203 3.5 102.4 0.5
O28 A:U0I203 3.5 106.6 0.5
C06 A:U0I203 3.7 116.5 0.5
C25 A:U0I203 3.9 102.7 0.5
C27 A:U0I203 3.9 100.8 0.5
C13 A:U0I203 3.9 113.0 0.5
C13 A:U0I203 4.0 113.0 0.5
C05 A:U0I203 4.1 108.6 0.5
C05 A:U0I203 4.4 108.0 0.5
C15 A:U0I203 4.6 114.4 0.5
C04 A:U0I203 4.6 105.4 0.5
N16 A:U0I203 4.7 104.4 0.5
C14 A:U0I203 4.8 113.2 0.5
C15 A:U0I203 4.8 113.8 0.5
C29 A:U0I203 4.8 100.0 0.5
C04 A:U0I203 4.8 105.4 0.5
N16 A:U0I203 4.8 104.6 0.5
C24 A:U0I203 4.8 100.8 0.5
C30 A:U0I203 4.9 96.9 0.5
C14 A:U0I203 4.9 113.1 0.5

Reference:

M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 To Be Published.
Page generated: Wed Jul 16 03:34:03 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy