Fluorine in PDB 8shc: Pendrin in Complex with Niflumic Acid

The structure of Pendrin in Complex with Niflumic Acid also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Pendrin in Complex with Niflumic Acid (pdb code 8shc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Pendrin in Complex with Niflumic Acid, PDB code: 8shc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the Pendrin in Complex with Niflumic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pendrin in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ D:F803 b:16.5 occ:1.00 F3 D:NFL803 0.0 16.5 1.0 C15 D:NFL803 1.3 16.5 1.0 F2 D:NFL803 2.1 16.5 1.0 F1 D:NFL803 2.1 16.5 1.0 C9 D:NFL803 2.4 16.5 1.0 C10 D:NFL803 3.1 16.5 1.0 C14 D:NFL803 3.3 16.5 1.0 CD2 D:PHE223 3.6 10.1 1.0 CG1 D:VAL220 3.9 10.4 1.0 CE2 D:PHE223 4.1 10.1 1.0 CG2 D:VAL220 4.3 10.4 1.0 O D:VAL220 4.3 10.4 1.0 OG1 D:THR224 4.3 12.4 1.0 C11 D:NFL803 4.4 16.5 1.0 CA D:VAL220 4.4 10.4 1.0 CB D:VAL220 4.4 10.4 1.0 CG D:PHE223 4.4 10.1 1.0 C13 D:NFL803 4.5 16.5 1.0 CB D:PHE223 4.6 10.1 1.0 C D:VAL220 4.8 10.4 1.0 C12 D:NFL803 4.9 16.5 1.0 N1 D:NFL803 5.0 16.5 1.0

Fluorine binding site 2 out of 12 in the Pendrin in Complex with Niflumic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pendrin in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ D:F803 b:16.5 occ:1.00 F1 D:NFL803 0.0 16.5 1.0 C15 D:NFL803 1.3 16.5 1.0 F3 D:NFL803 2.1 16.5 1.0 F2 D:NFL803 2.1 16.5 1.0 C9 D:NFL803 2.4 16.5 1.0 C14 D:NFL803 2.7 16.5 1.0 C10 D:NFL803 3.6 16.5 1.0 CD1 D:LEU215 4.0 9.3 1.0 CG2 D:VAL359 4.1 9.6 1.0 C13 D:NFL803 4.1 16.5 1.0 CG1 D:VAL359 4.2 9.6 1.0 CA D:VAL359 4.3 9.6 1.0 CB D:ALA362 4.3 11.0 1.0 CB D:VAL359 4.4 9.6 1.0 O D:VAL359 4.5 9.6 1.0 CG2 D:VAL220 4.6 10.4 1.0 CG1 D:ILE363 4.7 12.4 1.0 C11 D:NFL803 4.7 16.5 1.0 CD2 D:PHE223 4.9 10.1 1.0 C D:VAL359 4.9 9.6 1.0 C12 D:NFL803 4.9 16.5 1.0

Fluorine binding site 3 out of 12 in the Pendrin in Complex with Niflumic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pendrin in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ D:F803 b:16.5 occ:1.00 F2 D:NFL803 0.0 16.5 1.0 C15 D:NFL803 1.3 16.5 1.0 F3 D:NFL803 2.1 16.5 1.0 F1 D:NFL803 2.1 16.5 1.0 C9 D:NFL803 2.4 16.5 1.0 C10 D:NFL803 2.8 16.5 1.0 CG1 D:VAL359 3.2 9.6 1.0 C14 D:NFL803 3.5 16.5 1.0 CD1 D:ILE363 3.7 12.4 1.0 CG1 D:ILE363 3.7 12.4 1.0 CE2 D:PHE223 4.1 10.1 1.0 CB D:VAL359 4.2 9.6 1.0 C11 D:NFL803 4.2 16.5 1.0 CG2 D:VAL359 4.2 9.6 1.0 CD2 D:PHE223 4.3 10.1 1.0 O D:VAL359 4.4 9.6 1.0 CA D:VAL359 4.6 9.6 1.0 C13 D:NFL803 4.7 16.5 1.0 C D:VAL359 4.9 9.6 1.0 N1 D:NFL803 4.9 16.5 1.0 C12 D:NFL803 4.9 16.5 1.0

Fluorine binding site 4 out of 12 in the Pendrin in Complex with Niflumic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pendrin in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ D:F804 b:32.2 occ:1.00 F3 D:NFL804 0.0 32.2 1.0 C15 D:NFL804 1.3 32.2 1.0 F2 D:NFL804 2.1 32.2 1.0 F1 D:NFL804 2.1 32.2 1.0 C9 D:NFL804 2.4 32.2 1.0 OE1 D:GLU303 2.8 44.2 1.0 C14 D:NFL804 3.1 32.2 1.0 CA D:PRO301 3.3 56.0 1.0 C10 D:NFL804 3.3 32.2 1.0 C D:PRO301 3.7 56.0 1.0 CB D:GLU303 3.8 44.2 1.0 CB D:PRO301 3.8 56.0 1.0 N D:GLU303 3.9 44.2 1.0 CD D:GLU303 3.9 44.2 1.0 N D:ILE302 4.0 49.8 1.0 O D:ILE300 4.2 67.8 1.0 N D:VAL304 4.3 44.9 1.0 CA D:GLU303 4.3 44.2 1.0 C13 D:NFL804 4.4 32.2 1.0 N D:PRO301 4.4 56.0 1.0 CG D:GLU303 4.4 44.2 1.0 O D:PRO301 4.4 56.0 1.0 CG2 D:VAL304 4.5 44.9 1.0 C11 D:NFL804 4.5 32.2 1.0 C D:ILE300 4.7 67.8 1.0 C D:GLU303 4.8 44.2 1.0 C D:ILE302 4.9 49.8 1.0 OE2 D:GLU303 4.9 44.2 1.0 C12 D:NFL804 4.9 32.2 1.0

Fluorine binding site 5 out of 12 in the Pendrin in Complex with Niflumic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Pendrin in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ D:F804 b:32.2 occ:1.00 F1 D:NFL804 0.0 32.2 1.0 C15 D:NFL804 1.3 32.2 1.0 F3 D:NFL804 2.1 32.2 1.0 F2 D:NFL804 2.1 32.2 1.0 C9 D:NFL804 2.4 32.2 1.0 C10 D:NFL804 2.7 32.2 1.0 C14 D:NFL804 3.6 32.2 1.0 CG2 D:VAL304 3.6 44.9 1.0 CG2 D:VAL97 3.7 24.2 1.0 CG1 D:VAL97 4.0 24.2 1.0 C11 D:NFL804 4.1 32.2 1.0 CB D:GLU303 4.2 44.2 1.0 CB D:VAL97 4.3 24.2 1.0 OE1 D:GLU303 4.3 44.2 1.0 N1 D:NFL804 4.4 32.2 1.0 CA D:VAL97 4.5 24.2 1.0 N D:VAL304 4.5 44.9 1.0 C13 D:NFL804 4.7 32.2 1.0 CB D:VAL304 4.8 44.9 1.0 CB D:PRO301 4.9 56.0 1.0 CA D:PRO301 4.9 56.0 1.0 C12 D:NFL804 4.9 32.2 1.0

Fluorine binding site 6 out of 12 in the Pendrin in Complex with Niflumic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Pendrin in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ D:F804 b:32.2 occ:1.00 F2 D:NFL804 0.0 32.2 1.0 C15 D:NFL804 1.3 32.2 1.0 F3 D:NFL804 2.1 32.2 1.0 F1 D:NFL804 2.1 32.2 1.0 C9 D:NFL804 2.4 32.2 1.0 C14 D:NFL804 2.8 32.2 1.0 CG2 D:VAL97 3.3 24.2 1.0 C10 D:NFL804 3.6 32.2 1.0 CB D:PRO301 4.1 56.0 1.0 CA D:PRO301 4.2 56.0 1.0 C13 D:NFL804 4.2 32.2 1.0 CG1 D:VAL97 4.4 24.2 1.0 CB D:VAL97 4.4 24.2 1.0 C11 D:NFL804 4.7 32.2 1.0 OE1 D:GLU303 4.7 44.2 1.0 CG2 D:VAL412 4.8 28.8 1.0 CG2 D:VAL304 4.9 44.9 1.0 CG1 D:VAL412 4.9 28.8 1.0 C12 D:NFL804 5.0 32.2 1.0

Fluorine binding site 7 out of 12 in the Pendrin in Complex with Niflumic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Pendrin in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:F817 b:16.6 occ:1.00 F3 C:NFL817 0.0 16.6 1.0 C15 C:NFL817 1.3 16.6 1.0 F2 C:NFL817 2.1 16.6 1.0 F1 C:NFL817 2.1 16.6 1.0 C9 C:NFL817 2.4 16.6 1.0 C10 C:NFL817 3.1 16.6 1.0 C14 C:NFL817 3.3 16.6 1.0 CD2 C:PHE223 3.6 9.9 1.0 CG1 C:VAL220 3.9 10.4 1.0 CE2 C:PHE223 4.1 9.9 1.0 CG2 C:VAL220 4.3 10.4 1.0 O C:VAL220 4.3 10.4 1.0 OG1 C:THR224 4.3 12.3 1.0 C11 C:NFL817 4.4 16.6 1.0 CA C:VAL220 4.4 10.4 1.0 CB C:VAL220 4.4 10.4 1.0 CG C:PHE223 4.4 9.9 1.0 C13 C:NFL817 4.5 16.6 1.0 CB C:PHE223 4.6 9.9 1.0 C C:VAL220 4.8 10.4 1.0 C12 C:NFL817 4.9 16.6 1.0 N1 C:NFL817 5.0 16.6 1.0

Fluorine binding site 8 out of 12 in the Pendrin in Complex with Niflumic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Pendrin in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:F817 b:16.6 occ:1.00 F1 C:NFL817 0.0 16.6 1.0 C15 C:NFL817 1.3 16.6 1.0 F3 C:NFL817 2.1 16.6 1.0 F2 C:NFL817 2.1 16.6 1.0 C9 C:NFL817 2.4 16.6 1.0 C14 C:NFL817 2.7 16.6 1.0 C10 C:NFL817 3.6 16.6 1.0 CD1 C:LEU215 4.0 9.4 1.0 CG2 C:VAL359 4.1 9.5 1.0 C13 C:NFL817 4.1 16.6 1.0 CG1 C:VAL359 4.2 9.5 1.0 CA C:VAL359 4.3 9.5 1.0 CB C:ALA362 4.3 11.0 1.0 CB C:VAL359 4.4 9.5 1.0 O C:VAL359 4.5 9.5 1.0 CG2 C:VAL220 4.6 10.4 1.0 CG1 C:ILE363 4.7 12.4 1.0 C11 C:NFL817 4.7 16.6 1.0 CD2 C:PHE223 4.9 9.9 1.0 C C:VAL359 4.9 9.5 1.0 C12 C:NFL817 4.9 16.6 1.0

Fluorine binding site 9 out of 12 in the Pendrin in Complex with Niflumic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Pendrin in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:F817 b:16.6 occ:1.00 F2 C:NFL817 0.0 16.6 1.0 C15 C:NFL817 1.3 16.6 1.0 F3 C:NFL817 2.1 16.6 1.0 F1 C:NFL817 2.1 16.6 1.0 C9 C:NFL817 2.4 16.6 1.0 C10 C:NFL817 2.8 16.6 1.0 CG1 C:VAL359 3.2 9.5 1.0 C14 C:NFL817 3.5 16.6 1.0 CD1 C:ILE363 3.7 12.4 1.0 CG1 C:ILE363 3.7 12.4 1.0 CE2 C:PHE223 4.1 9.9 1.0 CB C:VAL359 4.2 9.5 1.0 CG2 C:VAL359 4.2 9.5 1.0 C11 C:NFL817 4.2 16.6 1.0 CD2 C:PHE223 4.3 9.9 1.0 O C:VAL359 4.4 9.5 1.0 CA C:VAL359 4.6 9.5 1.0 C13 C:NFL817 4.7 16.6 1.0 C C:VAL359 4.9 9.5 1.0 N1 C:NFL817 4.9 16.6 1.0 C12 C:NFL817 4.9 16.6 1.0

Fluorine binding site 10 out of 12 in the Pendrin in Complex with Niflumic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Pendrin in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:F818 b:32.4 occ:1.00 F3 C:NFL818 0.0 32.4 1.0 C15 C:NFL818 1.3 32.4 1.0 F2 C:NFL818 2.1 32.4 1.0 F1 C:NFL818 2.1 32.4 1.0 C9 C:NFL818 2.4 32.4 1.0 OE1 C:GLU303 2.8 44.2 1.0 C14 C:NFL818 3.1 32.4 1.0 CA C:PRO301 3.3 55.9 1.0 C10 C:NFL818 3.3 32.4 1.0 C C:PRO301 3.7 55.9 1.0 CB C:GLU303 3.8 44.2 1.0 CB C:PRO301 3.8 55.9 1.0 N C:GLU303 3.9 44.2 1.0 CD C:GLU303 3.9 44.2 1.0 N C:ILE302 4.0 49.6 1.0 O C:ILE300 4.2 67.7 1.0 N C:VAL304 4.3 45.0 1.0 CA C:GLU303 4.3 44.2 1.0 C13 C:NFL818 4.4 32.4 1.0 N C:PRO301 4.4 55.9 1.0 CG C:GLU303 4.4 44.2 1.0 O C:PRO301 4.4 55.9 1.0 CG2 C:VAL304 4.5 45.0 1.0 C11 C:NFL818 4.5 32.4 1.0 C C:ILE300 4.7 67.7 1.0 C C:GLU303 4.8 44.2 1.0 C C:ILE302 4.9 49.6 1.0 OE2 C:GLU303 4.9 44.2 1.0 C12 C:NFL818 4.9 32.4 1.0

L.Wang, A.Hoang, M.Zhou. Pendrin in Complex with Niflumic Acid To Be Published.