Fluorine in PDB 7mpf: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436, PDB code: 7mpf 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)	74.50 / 2.80
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.723, 89.723, 133.7, 90, 90, 90
R / Rfree (%)	22.3 / 24.4

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436 (pdb code 7mpf). 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436, PDB code: 7mpf:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:78.2 occ:0.49 F26 A:R1D203 0.0 78.2 0.5 C25 A:R1D203 1.4 71.5 0.5 F27 A:R1D203 2.2 66.6 0.5 F28 A:R1D203 2.2 58.6 0.5 N16 A:R1D203 2.3 71.9 0.5 O A:HOH304 2.3 55.7 1.0 C24 A:R1D203 2.4 80.0 0.5 N16 A:R1D203 2.4 71.8 0.5 C20 A:R1D203 2.5 78.5 0.5 C17 A:R1D203 2.8 74.3 0.5 C19 A:R1D203 2.8 80.6 0.5 C17 A:R1D203 2.9 74.3 0.5 C19 A:R1D203 3.0 81.0 0.5 C14 A:R1D203 3.4 67.8 0.5 C23 A:R1D203 3.5 82.6 0.5 C14 A:R1D203 3.5 68.0 0.5 C21 A:R1D203 3.5 81.7 0.5 O15 A:R1D203 3.8 69.7 0.5 O15 A:R1D203 3.8 70.1 0.5 CB A:HIS41 3.9 44.2 1.0 CG A:HIS41 4.0 54.4 1.0 C24 A:R1D203 4.0 81.6 0.5 CD2 A:HIS41 4.1 62.5 1.0 N18 A:R1D203 4.1 74.9 0.5 N18 A:R1D203 4.2 74.9 0.5 OH A:TYR130 4.2 89.1 1.0 C20 A:R1D203 4.3 81.7 0.5 O A:VAL122 4.4 70.8 1.0 C22 A:R1D203 4.5 82.9 0.5 C12 A:R1D203 4.6 69.8 0.5 C12 A:R1D203 4.6 64.6 0.5 C22 A:R1D203 4.6 82.3 0.5 O A:ALA37 4.6 56.9 1.0 ND1 A:HIS41 4.7 60.1 1.0 C23 A:R1D203 4.7 80.2 0.5 F27 A:R1D203 4.8 82.5 0.5 C11 A:R1D203 4.8 71.0 0.5 C11 A:R1D203 4.9 75.1 0.5 NE2 A:HIS41 4.9 60.0 1.0 C21 A:R1D203 4.9 79.5 0.5 C25 A:R1D203 5.0 81.3 0.5 N A:VAL122 5.0 60.4 1.0

Fluorine binding site 2 out of 6 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:73.8 occ:0.51 F26 A:R1D203 0.0 73.8 0.5 C25 A:R1D203 1.4 81.3 0.5 C20 A:R1D203 2.1 81.7 0.5 F28 A:R1D203 2.2 73.2 0.5 F27 A:R1D203 2.2 82.5 0.5 C24 A:R1D203 2.4 81.6 0.5 C21 A:R1D203 2.4 79.5 0.5 C23 A:R1D203 2.8 80.2 0.5 C19 A:R1D203 3.4 81.0 0.5 C19 A:R1D203 3.7 80.6 0.5 C22 A:R1D203 3.8 82.3 0.5 C17 A:R1D203 4.1 74.3 0.5 C22 A:R1D203 4.1 82.9 0.5 C17 A:R1D203 4.3 74.3 0.5 N18 A:R1D203 4.4 74.9 0.5 C24 A:R1D203 4.5 80.0 0.5 N18 A:R1D203 4.5 74.9 0.5 O02 A:R1D203 4.6 92.8 0.5 O02 A:R1D203 4.6 92.8 0.5 C23 A:R1D203 4.6 82.6 0.5 C20 A:R1D203 4.8 78.5 0.5 C21 A:R1D203 5.0 81.7 0.5

Fluorine binding site 3 out of 6 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:66.6 occ:0.49 F27 A:R1D203 0.0 66.6 0.5 C25 A:R1D203 1.4 71.5 0.5 F26 A:R1D203 2.2 78.2 0.5 F28 A:R1D203 2.2 58.6 0.5 C20 A:R1D203 2.2 78.5 0.5 C24 A:R1D203 2.4 80.0 0.5 C21 A:R1D203 2.4 81.7 0.5 C23 A:R1D203 2.7 82.6 0.5 CB A:ALA37 3.0 52.0 1.0 O A:ALA37 3.2 56.9 1.0 C A:ALA37 3.2 60.9 1.0 C19 A:R1D203 3.5 80.6 0.5 N A:ILE38 3.6 63.4 1.0 CA A:ALA37 3.7 49.3 1.0 C19 A:R1D203 3.7 81.0 0.5 C22 A:R1D203 3.7 82.9 0.5 C22 A:R1D203 4.1 82.3 0.5 CA A:ILE38 4.1 58.3 1.0 C17 A:R1D203 4.2 74.3 0.5 CB A:HIS41 4.2 44.2 1.0 O A:HOH304 4.2 55.7 1.0 N16 A:R1D203 4.3 71.9 0.5 C17 A:R1D203 4.3 74.3 0.5 N16 A:R1D203 4.4 71.8 0.5 C24 A:R1D203 4.5 81.6 0.5 CG1 A:ILE38 4.6 61.2 1.0 C23 A:R1D203 4.6 80.2 0.5 NH2 A:ARG124 4.7 71.4 1.0 C20 A:R1D203 4.8 81.7 0.5 O A:HOH305 4.9 51.8 1.0 CG A:HIS41 4.9 54.4 1.0 CB A:ILE38 4.9 54.4 1.0 C21 A:R1D203 4.9 79.5 0.5 N A:ALA37 5.0 61.1 1.0

Fluorine binding site 4 out of 6 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436


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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:82.5 occ:0.51 F27 A:R1D203 0.0 82.5 0.5 C25 A:R1D203 1.4 81.3 0.5 F28 A:R1D203 2.2 73.2 0.5 F26 A:R1D203 2.2 73.8 0.5 C20 A:R1D203 2.2 81.7 0.5 C24 A:R1D203 2.4 81.6 0.5 C19 A:R1D203 2.7 81.0 0.5 C17 A:R1D203 2.8 74.3 0.5 C19 A:R1D203 3.0 80.6 0.5 C17 A:R1D203 3.1 74.3 0.5 C21 A:R1D203 3.2 79.5 0.5 N16 A:R1D203 3.3 71.8 0.5 C23 A:R1D203 3.4 80.2 0.5 N16 A:R1D203 3.5 71.9 0.5 N18 A:R1D203 3.6 74.9 0.5 N18 A:R1D203 3.7 74.9 0.5 OH A:TYR130 3.8 89.1 1.0 C24 A:R1D203 3.9 80.0 0.5 C14 A:R1D203 4.2 68.0 0.5 C22 A:R1D203 4.3 82.3 0.5 C20 A:R1D203 4.3 78.5 0.5 C14 A:R1D203 4.3 67.8 0.5 C11 A:R1D203 4.5 75.1 0.5 C11 A:R1D203 4.5 71.0 0.5 C23 A:R1D203 4.5 82.6 0.5 C22 A:R1D203 4.6 82.9 0.5 C12 A:R1D203 4.7 64.6 0.5 F26 A:R1D203 4.8 78.2 0.5 CZ A:TYR130 4.8 90.9 1.0 C12 A:R1D203 4.8 69.8 0.5 C21 A:R1D203 4.9 81.7 0.5 C25 A:R1D203 5.0 71.5 0.5 O15 A:R1D203 5.0 70.1 0.5

Fluorine binding site 5 out of 6 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436


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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:58.6 occ:0.49 F28 A:R1D203 0.0 58.6 0.5 C25 A:R1D203 1.4 71.5 0.5 C20 A:R1D203 1.9 78.5 0.5 F27 A:R1D203 2.2 66.6 0.5 F26 A:R1D203 2.2 78.2 0.5 C24 A:R1D203 2.4 80.0 0.5 C19 A:R1D203 2.7 80.6 0.5 C17 A:R1D203 2.8 74.3 0.5 C21 A:R1D203 3.0 81.7 0.5 C17 A:R1D203 3.0 74.3 0.5 C19 A:R1D203 3.0 81.0 0.5 N16 A:R1D203 3.2 71.9 0.5 N16 A:R1D203 3.4 71.8 0.5 C23 A:R1D203 3.4 82.6 0.5 N18 A:R1D203 3.5 74.9 0.5 CB A:HIS41 3.6 44.2 1.0 N18 A:R1D203 3.6 74.9 0.5 CG A:HIS41 3.8 54.4 1.0 CA A:ILE38 3.8 58.3 1.0 CG1 A:ILE38 3.9 61.2 1.0 ND1 A:HIS41 4.0 60.1 1.0 C24 A:R1D203 4.0 81.6 0.5 O A:ALA37 4.1 56.9 1.0 N A:ILE38 4.1 63.4 1.0 C14 A:R1D203 4.1 67.8 0.5 C22 A:R1D203 4.2 82.9 0.5 CB A:ILE38 4.2 54.4 1.0 C14 A:R1D203 4.2 68.0 0.5 C A:ALA37 4.3 60.9 1.0 C20 A:R1D203 4.3 81.7 0.5 CG2 A:ILE38 4.3 78.2 1.0 O A:HOH304 4.3 55.7 1.0 C11 A:R1D203 4.4 71.0 0.5 C11 A:R1D203 4.4 75.1 0.5 CD2 A:HIS41 4.6 62.5 1.0 C22 A:R1D203 4.6 82.3 0.5 C23 A:R1D203 4.6 80.2 0.5 C12 A:R1D203 4.6 69.8 0.5 C12 A:R1D203 4.7 64.6 0.5 CE1 A:HIS41 4.8 64.9 1.0 O15 A:R1D203 4.9 69.7 0.5 C21 A:R1D203 4.9 79.5 0.5 CB A:ALA37 5.0 52.0 1.0 O15 A:R1D203 5.0 70.1 0.5

Fluorine binding site 6 out of 6 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436


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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:73.2 occ:0.51 F28 A:R1D203 0.0 73.2 0.5 C25 A:R1D203 1.4 81.3 0.5 C20 A:R1D203 2.2 81.7 0.5 F27 A:R1D203 2.2 82.5 0.5 F26 A:R1D203 2.2 73.8 0.5 N18 A:R1D203 2.3 74.9 0.5 C24 A:R1D203 2.4 81.6 0.5 N18 A:R1D203 2.5 74.9 0.5 C17 A:R1D203 2.6 74.3 0.5 C19 A:R1D203 2.7 81.0 0.5 C17 A:R1D203 2.8 74.3 0.5 C19 A:R1D203 2.9 80.6 0.5 C11 A:R1D203 3.3 75.1 0.5 C21 A:R1D203 3.4 79.5 0.5 C11 A:R1D203 3.4 71.0 0.5 C23 A:R1D203 3.5 80.2 0.5 N16 A:R1D203 3.7 71.8 0.5 N16 A:R1D203 3.9 71.9 0.5 N08 A:R1D203 3.9 76.3 0.5 N08 A:R1D203 3.9 76.2 0.5 C09 A:R1D203 4.1 71.1 0.5 C24 A:R1D203 4.1 80.0 0.5 C09 A:R1D203 4.1 75.8 0.5 C20 A:R1D203 4.2 78.5 0.5 C12 A:R1D203 4.3 64.6 0.5 O02 A:R1D203 4.3 92.8 0.5 O02 A:R1D203 4.3 92.8 0.5 C12 A:R1D203 4.3 69.8 0.5 C03 A:R1D203 4.4 96.8 0.5 C03 A:R1D203 4.4 95.4 0.5 C14 A:R1D203 4.4 68.0 0.5 C04 A:R1D203 4.5 93.9 0.5 C04 A:R1D203 4.5 92.8 0.5 C14 A:R1D203 4.5 67.8 0.5 C22 A:R1D203 4.5 82.3 0.5 C22 A:R1D203 4.7 82.9 0.5 C23 A:R1D203 4.8 82.6 0.5 C21 A:R1D203 4.9 81.7 0.5 C31 A:R1D203 4.9 97.1 0.5 C31 A:R1D203 4.9 98.9 0.5

M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436 To Be Published.