Atomistry » Fluorine » PDB 7juv-7k77 » 7k77
Atomistry »
  Fluorine »
    PDB 7juv-7k77 »
      7k77 »

Fluorine in PDB 7k77: The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025

Protein crystallography data

The structure of The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025, PDB code: 7k77 was solved by M.G.Cuypers, P.J.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) 39.25 / 2.78
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 89.731, 89.731, 130.958, 90, 90, 90
R / Rfree (%) 22 / 28

Other elements in 7k77:

The structure of The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025 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 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025 (pdb code 7k77). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025, PDB code: 7k77:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7k77

Go back to Fluorine Binding Sites List in 7k77
Fluorine binding site 1 out of 3 in the The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025


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 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:65.1
occ:1.00
F27 A:U3A404 0.0 65.1 1.0
C25 A:U3A404 1.4 65.1 1.0
F28 A:U3A404 2.2 58.5 1.0
F26 A:U3A404 2.3 76.5 1.0
C24 A:U3A404 2.3 64.5 1.0
C23 A:U3A404 2.6 63.2 1.0
CB A:ALA37 3.1 53.0 1.0
O A:ALA37 3.2 46.5 1.0
C A:ALA37 3.2 43.4 1.0
C19 A:U3A404 3.6 60.4 1.0
N A:THR38 3.7 43.8 1.0
CA A:ALA37 3.8 43.9 1.0
O A:HOH511 4.0 45.2 1.0
C22 A:U3A404 4.0 72.1 1.0
CA A:THR38 4.1 44.7 1.0
N16 A:U3A404 4.3 54.4 1.0
CB A:HIS41 4.3 32.8 1.0
C17 A:U3A404 4.3 56.1 1.0
OG1 A:THR38 4.4 45.1 1.0
C20 A:U3A404 4.7 68.8 1.0
C21 A:U3A404 4.8 74.2 1.0
CB A:THR38 4.9 44.8 1.0
O A:LYS34 4.9 48.0 1.0
N A:ALA37 5.0 41.4 1.0
CG A:HIS41 5.0 36.4 1.0

Fluorine binding site 2 out of 3 in 7k77

Go back to Fluorine Binding Sites List in 7k77
Fluorine binding site 2 out of 3 in the The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025


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 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:58.5
occ:1.00
F28 A:U3A404 0.0 58.5 1.0
C25 A:U3A404 1.4 65.1 1.0
F27 A:U3A404 2.2 65.1 1.0
F26 A:U3A404 2.3 76.5 1.0
C24 A:U3A404 2.3 64.5 1.0
C19 A:U3A404 2.8 60.4 1.0
C17 A:U3A404 2.9 56.1 1.0
N16 A:U3A404 3.0 54.4 1.0
C23 A:U3A404 3.4 63.2 1.0
CB A:HIS41 3.5 32.8 1.0
CG A:HIS41 3.6 36.4 1.0
N18 A:U3A404 3.7 58.8 1.0
C14 A:U3A404 3.9 53.7 1.0
ND1 A:HIS41 3.9 43.8 1.0
O A:ALA37 4.0 46.5 1.0
CA A:THR38 4.1 44.7 1.0
C20 A:U3A404 4.1 68.8 1.0
CD2 A:HIS41 4.3 47.7 1.0
C A:ALA37 4.4 43.4 1.0
OG1 A:THR38 4.4 45.1 1.0
C11 A:U3A404 4.5 61.5 1.0
N A:THR38 4.5 43.8 1.0
C22 A:U3A404 4.5 72.1 1.0
C12 A:U3A404 4.5 53.8 1.0
O15 A:U3A404 4.6 47.1 1.0
CE1 A:HIS41 4.7 46.3 1.0
CB A:THR38 4.7 44.8 1.0
C21 A:U3A404 4.8 74.2 1.0
NE2 A:HIS41 4.9 46.0 1.0
CG2 A:THR38 4.9 47.2 1.0
CA A:HIS41 4.9 34.0 1.0

Fluorine binding site 3 out of 3 in 7k77

Go back to Fluorine Binding Sites List in 7k77
Fluorine binding site 3 out of 3 in the The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025


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 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:76.5
occ:1.00
F26 A:U3A404 0.0 76.5 1.0
C25 A:U3A404 1.4 65.1 1.0
F27 A:U3A404 2.3 65.1 1.0
F28 A:U3A404 2.3 58.5 1.0
C24 A:U3A404 2.4 64.5 1.0
N16 A:U3A404 2.5 54.4 1.0
C19 A:U3A404 3.1 60.4 1.0
C17 A:U3A404 3.1 56.1 1.0
C23 A:U3A404 3.4 63.2 1.0
C14 A:U3A404 3.5 53.7 1.0
O15 A:U3A404 3.7 47.1 1.0
CB A:HIS41 4.1 32.8 1.0
CG A:HIS41 4.1 36.4 1.0
CD2 A:HIS41 4.2 47.7 1.0
O A:HOH511 4.3 45.2 1.0
OH A:TYR130 4.3 81.6 1.0
C20 A:U3A404 4.3 68.8 1.0
N18 A:U3A404 4.4 58.8 1.0
C22 A:U3A404 4.6 72.1 1.0
O A:ALA37 4.6 46.5 1.0
O A:VAL122 4.7 55.9 1.0
C12 A:U3A404 4.7 53.8 1.0
ND1 A:HIS41 4.9 43.8 1.0
C21 A:U3A404 5.0 74.2 1.0
NE2 A:HIS41 5.0 46.0 1.0

Reference:

M.G.Cuypers, P.J.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025 To Be Published.
Page generated: Fri Aug 2 08:16:37 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy