Fluorine in PDB 6vl3: The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ000986436

The structure of The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ000986436, PDB code: 6vl3 was solved by M.G.Cuypers, P.J.Slavish, S.Jayaraman, Z.Rankovic, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.18 / 2.68
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.804, 89.804, 132.729, 90, 90, 90
R / Rfree (%)	25.3 / 29.5

The structure of The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ000986436 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 Pa Endonuclease Mutant I38T in Complex with SJ000986436 (pdb code 6vl3). 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 SJ000986436, PDB code: 6vl3:
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 Pa Endonuclease Mutant I38T in Complex with SJ000986436


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 SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:88.8 occ:1.00 F26 A:R1D203 0.0 88.8 1.0 C25 A:R1D203 1.4 82.4 1.0 F27 A:R1D203 2.2 73.0 1.0 F28 A:R1D203 2.2 76.1 1.0 C24 A:R1D203 2.4 86.1 1.0 N16 A:R1D203 2.4 75.9 1.0 C17 A:R1D203 2.9 67.4 1.0 C19 A:R1D203 3.0 82.0 1.0 C23 A:R1D203 3.4 86.3 1.0 C14 A:R1D203 3.5 67.4 1.0 O15 A:R1D203 3.8 65.3 1.0 CB A:HIS41 4.0 45.5 1.0 CG A:HIS41 4.0 42.9 1.0 CD2 A:HIS41 4.0 57.0 1.0 O A:VAL122 4.2 46.5 1.0 N18 A:R1D203 4.2 66.0 1.0 C20 A:R1D203 4.3 93.5 1.0 OH A:TYR130 4.4 63.4 1.0 O A:ALA37 4.6 61.3 1.0 C22 A:R1D203 4.6 90.4 1.0 C12 A:R1D203 4.7 63.2 1.0 ND1 A:HIS41 4.8 59.9 1.0 NE2 A:HIS41 4.8 50.0 1.0 N A:VAL122 4.9 40.0 1.0 C21 A:R1D203 4.9 99.3 1.0 C11 A:R1D203 5.0 65.0 1.0

Fluorine binding site 2 out of 3 in the The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ000986436


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 SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:73.0 occ:1.00 F27 A:R1D203 0.0 73.0 1.0 C25 A:R1D203 1.4 82.4 1.0 F26 A:R1D203 2.2 88.8 1.0 F28 A:R1D203 2.2 76.1 1.0 C24 A:R1D203 2.4 86.1 1.0 C23 A:R1D203 2.7 86.3 1.0 O A:ALA37 2.9 61.3 1.0 CB A:ALA37 3.1 65.2 1.0 C A:ALA37 3.1 53.5 1.0 CA A:ALA37 3.6 50.1 1.0 C19 A:R1D203 3.7 82.0 1.0 N A:THR38 3.7 59.6 1.0 C22 A:R1D203 4.1 90.4 1.0 CB A:HIS41 4.1 45.5 1.0 CA A:THR38 4.2 55.9 1.0 C17 A:R1D203 4.3 67.4 1.0 N16 A:R1D203 4.4 75.9 1.0 C20 A:R1D203 4.8 93.5 1.0 O A:VAL122 4.8 46.5 1.0 NH2 A:ARG124 4.9 67.5 1.0 CG A:HIS41 4.9 42.9 1.0 C21 A:R1D203 4.9 99.3 1.0 N A:ALA37 4.9 44.3 1.0 OG1 A:THR38 5.0 50.8 1.0

Fluorine binding site 3 out of 3 in the The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ000986436


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 SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:76.1 occ:1.00 F28 A:R1D203 0.0 76.1 1.0 C25 A:R1D203 1.4 82.4 1.0 F27 A:R1D203 2.2 73.0 1.0 F26 A:R1D203 2.2 88.8 1.0 C24 A:R1D203 2.4 86.1 1.0 C19 A:R1D203 3.0 82.0 1.0 C17 A:R1D203 3.0 67.4 1.0 CB A:HIS41 3.2 45.5 1.0 N16 A:R1D203 3.3 75.9 1.0 C23 A:R1D203 3.4 86.3 1.0 CG A:HIS41 3.5 42.9 1.0 O A:ALA37 3.7 61.3 1.0 N18 A:R1D203 3.7 66.0 1.0 CA A:THR38 3.8 55.9 1.0 ND1 A:HIS41 3.9 59.9 1.0 C A:ALA37 4.1 53.5 1.0 N A:THR38 4.2 59.6 1.0 C14 A:R1D203 4.2 67.4 1.0 CD2 A:HIS41 4.2 57.0 1.0 C20 A:R1D203 4.3 93.5 1.0 C11 A:R1D203 4.5 65.0 1.0 CG2 A:THR38 4.6 59.6 1.0 CB A:THR38 4.6 58.9 1.0 C22 A:R1D203 4.6 90.4 1.0 OG1 A:THR38 4.6 50.8 1.0 CA A:HIS41 4.7 33.0 1.0 CE1 A:HIS41 4.7 55.2 1.0 C12 A:R1D203 4.7 63.2 1.0 C A:THR38 4.8 42.8 1.0 O A:THR38 4.8 48.8 1.0 O15 A:R1D203 4.9 65.3 1.0 NE2 A:HIS41 4.9 50.0 1.0 CB A:ALA37 4.9 65.2 1.0 C21 A:R1D203 4.9 99.3 1.0 N A:HIS41 5.0 37.4 1.0

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 SJ000986436 To Be Published.