Fluorine in PDB 6wij: The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448, PDB code: 6wij 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)	74.27 / 2.44
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.564, 89.564, 132.889, 90, 90, 90
R / Rfree (%)	21.5 / 26.5

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Fluorine atom in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 (pdb code 6wij). 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/California Pa Endonuclease Mutant I38T in Complex with SJ000986448, PDB code: 6wij:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448


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/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:144.3 occ:1.00 F27 A:U3A203 0.0 144.3 1.0 C25 A:U3A203 1.4 143.6 1.0 F26 A:U3A203 2.2 140.3 1.0 F28 A:U3A203 2.2 147.4 1.0 C24 A:U3A203 2.3 139.8 1.0 O A:HOH301 2.6 68.5 1.0 N16 A:U3A203 2.8 95.2 1.0 C19 A:U3A203 3.0 129.1 1.0 C17 A:U3A203 3.1 109.7 1.0 C23 A:U3A203 3.3 140.8 1.0 CB A:HIS41 3.9 52.4 1.0 C14 A:U3A203 3.9 86.3 1.0 CG A:HIS41 4.1 55.4 1.0 C20 A:U3A203 4.3 135.6 1.0 O15 A:U3A203 4.3 70.1 1.0 O A:ALA37 4.3 72.8 1.0 O A:VAL122 4.4 63.9 1.0 OH A:TYR130 4.4 105.7 1.0 N18 A:U3A203 4.4 103.5 1.0 CD2 A:HIS41 4.4 62.5 1.0 C22 A:U3A203 4.5 141.6 1.0 ND1 A:HIS41 4.8 62.3 1.0 CB A:ALA37 4.8 57.0 1.0 C A:ALA37 4.9 67.6 1.0 C21 A:U3A203 4.9 140.1 1.0

Fluorine binding site 2 out of 3 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448


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/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:147.4 occ:1.00 F28 A:U3A203 0.0 147.4 1.0 C25 A:U3A203 1.4 143.6 1.0 F26 A:U3A203 2.2 140.3 1.0 F27 A:U3A203 2.2 144.3 1.0 C24 A:U3A203 2.3 139.8 1.0 C23 A:U3A203 2.6 140.8 1.0 CB A:ALA37 3.0 57.0 1.0 O A:ALA37 3.2 72.8 1.0 C A:ALA37 3.2 67.6 1.0 N A:THR38 3.5 61.5 1.0 C19 A:U3A203 3.6 129.1 1.0 CA A:ALA37 3.7 61.9 1.0 CA A:THR38 3.9 58.0 1.0 C22 A:U3A203 4.0 141.6 1.0 C17 A:U3A203 4.3 109.7 1.0 OG1 A:THR38 4.3 76.4 1.0 CB A:HIS41 4.4 52.4 1.0 O A:HOH310 4.6 74.3 1.0 N16 A:U3A203 4.6 95.2 1.0 C20 A:U3A203 4.7 135.6 1.0 O A:LYS34 4.7 77.4 1.0 CB A:THR38 4.8 75.6 1.0 NH2 A:ARG124 4.8 84.9 1.0 O A:HOH301 4.8 68.5 1.0 C21 A:U3A203 4.8 140.1 1.0 N A:ALA37 4.9 64.7 1.0

Fluorine binding site 3 out of 3 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448


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/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:140.3 occ:1.00 F26 A:U3A203 0.0 140.3 1.0 C25 A:U3A203 1.3 143.6 1.0 F28 A:U3A203 2.2 147.4 1.0 F27 A:U3A203 2.2 144.3 1.0 C24 A:U3A203 2.3 139.8 1.0 C17 A:U3A203 2.8 109.7 1.0 C19 A:U3A203 2.9 129.1 1.0 N16 A:U3A203 3.3 95.2 1.0 N18 A:U3A203 3.5 103.5 1.0 C23 A:U3A203 3.5 140.8 1.0 CB A:HIS41 3.8 52.4 1.0 CG A:HIS41 4.0 55.4 1.0 ND1 A:HIS41 4.1 62.3 1.0 C14 A:U3A203 4.1 86.3 1.0 CA A:THR38 4.2 58.0 1.0 O A:ALA37 4.2 72.8 1.0 C20 A:U3A203 4.2 135.6 1.0 C11 A:U3A203 4.3 98.1 1.0 O A:HOH301 4.4 68.5 1.0 OG1 A:THR38 4.5 76.4 1.0 C A:ALA37 4.5 67.6 1.0 N A:THR38 4.5 61.5 1.0 C12 A:U3A203 4.6 89.8 1.0 C22 A:U3A203 4.6 141.6 1.0 CD2 A:HIS41 4.7 62.5 1.0 CB A:THR38 4.8 75.6 1.0 CE1 A:HIS41 4.8 63.7 1.0 O15 A:U3A203 4.9 70.1 1.0 C21 A:U3A203 4.9 140.1 1.0 O A:HOH306 4.9 93.0 1.0 CG2 A:THR38 5.0 79.6 1.0

M.G.Cuypers, P.J.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 To Be Published.