Fluorine in PDB 6wj4: The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448, PDB code: 6wj4 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)	63.70 / 2.55
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.09, 90.09, 132.141, 90, 90, 90
R / Rfree (%)	22.8 / 27.3

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type 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 Wild Type in Complex with SJ000986448 (pdb code 6wj4). 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 Wild Type in Complex with SJ000986448, PDB code: 6wj4:
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 Wild Type 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 Wild Type in Complex with SJ000986448 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:149.4 occ:1.00 F27 A:U3A203 0.0 149.4 1.0 C25 A:U3A203 1.4 147.6 1.0 F26 A:U3A203 2.2 140.1 1.0 F28 A:U3A203 2.2 152.6 1.0 C24 A:U3A203 2.3 142.9 1.0 N16 A:U3A203 2.6 95.9 1.0 C19 A:U3A203 2.9 125.0 1.0 O A:HOH306 2.9 71.6 1.0 C17 A:U3A203 2.9 104.7 1.0 C23 A:U3A203 3.4 139.4 1.0 C14 A:U3A203 3.7 85.3 1.0 O15 A:U3A203 4.1 68.8 1.0 CG A:HIS41 4.1 54.9 1.0 CB A:HIS41 4.2 54.8 1.0 N18 A:U3A203 4.2 101.9 1.0 C20 A:U3A203 4.2 123.5 1.0 CD2 A:HIS41 4.4 70.6 1.0 C22 A:U3A203 4.5 135.7 1.0 OH A:TYR130 4.6 116.7 1.0 ND1 A:HIS41 4.6 68.7 1.0 C12 A:U3A203 4.8 92.9 1.0 C21 A:U3A203 4.9 131.6 1.0 O A:ALA37 4.9 70.5 1.0 NE2 A:HIS41 5.0 63.8 1.0 C11 A:U3A203 5.0 97.1 1.0

Fluorine binding site 2 out of 3 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type 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 Wild Type in Complex with SJ000986448 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:152.6 occ:1.00 F28 A:U3A203 0.0 152.6 1.0 C25 A:U3A203 1.4 147.6 1.0 F26 A:U3A203 2.2 140.1 1.0 F27 A:U3A203 2.2 149.4 1.0 C24 A:U3A203 2.3 142.9 1.0 C23 A:U3A203 2.6 139.4 1.0 CB A:ALA37 3.4 59.6 1.0 C19 A:U3A203 3.6 125.0 1.0 N A:ILE38 3.7 59.8 1.0 C A:ALA37 3.7 60.1 1.0 C22 A:U3A203 4.0 135.7 1.0 CA A:ILE38 4.0 63.5 1.0 O A:ALA37 4.0 70.5 1.0 CA A:ALA37 4.2 57.8 1.0 C17 A:U3A203 4.3 104.7 1.0 CB A:ILE38 4.5 67.8 1.0 N16 A:U3A203 4.6 95.9 1.0 O A:HOH314 4.7 61.3 1.0 C20 A:U3A203 4.7 123.5 1.0 O A:LYS34 4.8 67.5 1.0 CB A:HIS41 4.8 54.8 1.0 C21 A:U3A203 4.9 131.6 1.0

Fluorine binding site 3 out of 3 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type 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 Wild Type in Complex with SJ000986448 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:140.1 occ:1.00 F26 A:U3A203 0.0 140.1 1.0 C25 A:U3A203 1.3 147.6 1.0 F28 A:U3A203 2.2 152.6 1.0 F27 A:U3A203 2.2 149.4 1.0 C24 A:U3A203 2.3 142.9 1.0 C19 A:U3A203 3.0 125.0 1.0 C17 A:U3A203 3.0 104.7 1.0 C23 A:U3A203 3.4 139.4 1.0 N16 A:U3A203 3.5 95.9 1.0 N18 A:U3A203 3.5 101.9 1.0 CD1 A:ILE38 3.9 98.7 1.0 C20 A:U3A203 4.2 123.5 1.0 CA A:ILE38 4.3 63.5 1.0 C14 A:U3A203 4.3 85.3 1.0 CB A:ILE38 4.3 67.8 1.0 C11 A:U3A203 4.4 97.1 1.0 ND1 A:HIS41 4.4 68.7 1.0 CB A:HIS41 4.5 54.8 1.0 CG A:HIS41 4.5 54.9 1.0 C22 A:U3A203 4.5 135.7 1.0 O02 A:U3A203 4.6 118.8 1.0 C01 A:U3A203 4.6 108.2 1.0 N A:ILE38 4.7 59.8 1.0 CG1 A:ILE38 4.7 90.6 1.0 C12 A:U3A203 4.7 92.9 1.0 C03 A:U3A203 4.8 122.3 1.0 C21 A:U3A203 4.9 131.6 1.0 O A:HOH306 4.9 71.6 1.0

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