Fluorine in PDB 6wj5: Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334

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>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Fluorine atom in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 (pdb code 6wj5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 32 binding sites of Fluorine where determined in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334, PDB code: 6wj5:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 32 in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:52.9 occ:1.00 F19 A:LXY1101 0.0 52.9 1.0 C16 A:LXY1101 1.4 52.9 1.0 HG23 A:VAL948 2.3 78.6 1.0 C17 A:LXY1101 2.3 52.9 1.0 C15 A:LXY1101 2.3 52.9 1.0 HG13 A:VAL948 2.5 78.6 1.0 H171 A:LXY1101 2.6 52.9 1.0 H151 A:LXY1101 2.6 52.9 1.0 HB A:VAL948 2.7 78.6 1.0 CG2 A:VAL948 3.0 78.6 1.0 CB A:VAL948 3.1 78.6 1.0 HE1 A:PHE944 3.2 76.6 1.0 CG1 A:VAL948 3.2 78.6 1.0 HG21 A:VAL948 3.3 78.6 1.0 HB3 A:MET912 3.4 90.7 1.0 HA A:LEU881 3.6 84.7 1.0 C14 A:LXY1101 3.6 52.9 1.0 C18 A:LXY1101 3.6 52.9 1.0 CE1 A:PHE944 3.7 76.6 1.0 HD2 A:PHE884 3.8 76.0 1.0 HZ A:PHE944 3.9 76.6 1.0 HG11 A:VAL948 3.9 78.6 1.0 HB2 A:MET912 3.9 90.7 1.0 HG22 A:VAL948 4.0 78.6 1.0 O A:THR908 4.0 84.9 1.0 HB2 A:LEU881 4.0 84.7 1.0 HD12 A:LEU881 4.0 84.7 1.0 HG12 A:VAL948 4.0 78.6 1.0 CZ A:PHE944 4.1 76.6 1.0 C13 A:LXY1101 4.1 52.9 1.0 CB A:MET912 4.2 90.7 1.0 HD11 A:LEU952 4.2 77.0 1.0 HD13 A:LEU881 4.4 84.7 1.0 HA A:MET912 4.4 90.7 1.0 H181 A:LXY1101 4.5 52.9 1.0 H141 A:LXY1101 4.5 52.9 1.0 CA A:LEU881 4.5 84.7 1.0 CD2 A:PHE884 4.5 76.0 1.0 HA A:PHE909 4.5 85.7 1.0 CD1 A:PHE944 4.6 76.6 1.0 CA A:VAL948 4.6 78.6 1.0 CD1 A:LEU881 4.7 84.7 1.0 CB A:LEU881 4.7 84.7 1.0 HD1 A:PHE944 4.8 76.6 1.0 HE2 A:PHE884 4.8 76.0 1.0 HG A:LEU880 4.8 84.7 1.0 HB2 A:PHE884 4.8 76.0 1.0 HA A:VAL948 4.9 78.6 1.0 HB A:THR908 4.9 84.9 1.0 CA A:MET912 4.9 90.7 1.0 C A:THR908 5.0 84.9 1.0

Fluorine binding site 2 out of 32 in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:52.9 occ:1.00 F31 A:LXY1101 0.0 52.9 1.0 C30 A:LXY1101 1.3 52.9 1.0 F32 A:LXY1101 2.1 52.9 1.0 F33 A:LXY1101 2.1 52.9 1.0 C29 A:LXY1101 2.4 52.9 1.0 H281 A:LXY1101 2.5 52.9 1.0 HD13 A:LEU871 2.7 105.8 1.0 C28 A:LXY1101 2.8 52.9 1.0 HB2 A:LEU871 3.6 105.8 1.0 C24 A:LXY1101 3.6 52.9 1.0 CD1 A:LEU871 3.7 105.8 1.0 HG21 B:ILE946 3.8 82.4 1.0 H232 A:LXY1101 3.8 52.9 1.0 HD12 B:ILE946 3.9 82.4 1.0 HA A:LEU871 3.9 105.8 1.0 HD11 A:LEU871 4.0 105.8 1.0 N27 A:LXY1101 4.1 52.9 1.0 C23 A:LXY1101 4.2 52.9 1.0 HD23 A:LEU871 4.2 105.8 1.0 HG22 A:THR874 4.3 98.4 1.0 HD12 A:LEU871 4.4 105.8 1.0 CB A:LEU871 4.4 105.8 1.0 HD11 A:LEU867 4.4 93.8 1.0 HG A:LEU870 4.4 96.0 1.0 CG A:LEU871 4.6 105.8 1.0 H231 A:LXY1101 4.6 52.9 1.0 CA A:LEU871 4.6 105.8 1.0 HG22 B:ILE946 4.7 82.4 1.0 HD12 A:LEU867 4.7 93.8 1.0 CG2 B:ILE946 4.7 82.4 1.0 C25 A:LXY1101 4.7 52.9 1.0 OG1 A:THR874 4.8 98.4 1.0 HB A:THR874 4.8 98.4 1.0 C26 A:LXY1101 4.9 52.9 1.0 CD2 A:LEU871 4.9 105.8 1.0 CD1 B:ILE946 5.0 82.4 1.0 HG1 A:THR874 5.0 98.4 1.0 HD23 A:LEU870 5.0 96.0 1.0

Fluorine binding site 3 out of 32 in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:52.9 occ:1.00 F32 A:LXY1101 0.0 52.9 1.0 C30 A:LXY1101 1.3 52.9 1.0 H232 A:LXY1101 2.1 52.9 1.0 F31 A:LXY1101 2.1 52.9 1.0 F33 A:LXY1101 2.1 52.9 1.0 C29 A:LXY1101 2.4 52.9 1.0 C23 A:LXY1101 2.7 52.9 1.0 HG A:LEU870 2.8 96.0 1.0 HG21 B:ILE946 2.8 82.4 1.0 C24 A:LXY1101 2.9 52.9 1.0 H231 A:LXY1101 2.9 52.9 1.0 HG22 B:ILE946 2.9 82.4 1.0 HD23 A:LEU870 3.1 96.0 1.0 HD21 A:LEU870 3.3 96.0 1.0 CG2 B:ILE946 3.4 82.4 1.0 CD2 A:LEU870 3.5 96.0 1.0 C28 A:LXY1101 3.5 52.9 1.0 CG A:LEU870 3.6 96.0 1.0 HD12 B:ILE946 3.7 82.4 1.0 HD12 A:LEU867 3.9 93.8 1.0 H281 A:LXY1101 3.9 52.9 1.0 HG23 B:ILE946 3.9 82.4 1.0 HG12 B:ILE946 4.0 82.4 1.0 N22 A:LXY1101 4.0 52.9 1.0 HD11 A:LEU867 4.1 93.8 1.0 HA A:LEU871 4.2 105.8 1.0 C25 A:LXY1101 4.2 52.9 1.0 OG1 A:THR874 4.2 98.4 1.0 HB3 A:LEU870 4.2 96.0 1.0 HB2 A:LEU871 4.3 105.8 1.0 HD13 A:LEU871 4.3 105.8 1.0 H221 A:LXY1101 4.3 52.9 1.0 HG1 A:THR874 4.4 98.4 1.0 HD11 A:LEU870 4.5 96.0 1.0 CD1 A:LEU867 4.5 93.8 1.0 CG1 B:ILE946 4.5 82.4 1.0 CD1 B:ILE946 4.5 82.4 1.0 CB A:LEU870 4.5 96.0 1.0 HG22 A:THR874 4.6 98.4 1.0 HD22 A:LEU870 4.6 96.0 1.0 CB B:ILE946 4.6 82.4 1.0 CD1 A:LEU870 4.6 96.0 1.0 N27 A:LXY1101 4.7 52.9 1.0 N A:LEU871 4.7 105.8 1.0 C A:LEU870 4.8 96.0 1.0 CA A:LEU871 4.9 105.8 1.0 O A:LEU870 4.9 96.0 1.0 H251 A:LXY1101 4.9 52.9 1.0 H A:LEU871 4.9 105.8 1.0 C26 A:LXY1101 4.9 52.9 1.0

Fluorine binding site 4 out of 32 in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:52.9 occ:1.00 F33 A:LXY1101 0.0 52.9 1.0 C30 A:LXY1101 1.3 52.9 1.0 F32 A:LXY1101 2.1 52.9 1.0 F31 A:LXY1101 2.1 52.9 1.0 C29 A:LXY1101 2.4 52.9 1.0 HA A:LEU871 2.4 105.8 1.0 H232 A:LXY1101 2.7 52.9 1.0 OG1 A:THR874 2.7 98.4 1.0 HG1 A:THR874 2.9 98.4 1.0 HD13 A:LEU871 2.9 105.8 1.0 HG22 A:THR874 3.0 98.4 1.0 HG A:LEU870 3.0 96.0 1.0 HB A:THR874 3.1 98.4 1.0 HD11 A:LEU871 3.2 105.8 1.0 C24 A:LXY1101 3.2 52.9 1.0 C28 A:LXY1101 3.3 52.9 1.0 CB A:THR874 3.3 98.4 1.0 C23 A:LXY1101 3.4 52.9 1.0 CA A:LEU871 3.4 105.8 1.0 H281 A:LXY1101 3.4 52.9 1.0 HB2 A:LEU871 3.4 105.8 1.0 CD1 A:LEU871 3.5 105.8 1.0 CG2 A:THR874 3.7 98.4 1.0 O A:LEU870 3.8 96.0 1.0 N A:LEU871 3.8 105.8 1.0 CB A:LEU871 3.9 105.8 1.0 C A:LEU870 3.9 96.0 1.0 H221 A:LXY1101 4.0 52.9 1.0 CG A:LEU870 4.1 96.0 1.0 H231 A:LXY1101 4.1 52.9 1.0 N22 A:LXY1101 4.2 52.9 1.0 CG A:LEU871 4.3 105.8 1.0 HG21 A:THR874 4.3 98.4 1.0 H A:LEU871 4.3 105.8 1.0 HD12 A:LEU871 4.4 105.8 1.0 HG23 A:THR874 4.4 98.4 1.0 C25 A:LXY1101 4.4 52.9 1.0 N27 A:LXY1101 4.5 52.9 1.0 C A:LEU871 4.5 105.8 1.0 O A:LEU871 4.5 105.8 1.0 HD23 A:LEU870 4.6 96.0 1.0 H A:THR874 4.6 98.4 1.0 H12 A:LXY1101 4.6 52.9 1.0 HD21 A:LEU870 4.7 96.0 1.0 CA A:THR874 4.7 98.4 1.0 HB3 A:LEU870 4.7 96.0 1.0 CD2 A:LEU870 4.7 96.0 1.0 HG21 B:ILE946 4.8 82.4 1.0 HD13 A:LEU870 4.8 96.0 1.0 HD11 A:LEU870 4.8 96.0 1.0 HB3 A:LEU871 4.9 105.8 1.0 CB A:LEU870 4.9 96.0 1.0 CD1 A:LEU870 4.9 96.0 1.0 C26 A:LXY1101 4.9 52.9 1.0 HD23 A:LEU871 5.0 105.8 1.0 HG22 B:ILE946 5.0 82.4 1.0

Fluorine binding site 5 out of 32 in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:52.9 occ:1.00 F41 A:LXY1101 0.0 52.9 1.0 C40 A:LXY1101 1.3 52.9 1.0 F42 A:LXY1101 2.1 52.9 1.0 F43 A:LXY1101 2.1 52.9 1.0 C37 A:LXY1101 2.4 52.9 1.0 N38 A:LXY1101 3.1 52.9 1.0 N36 A:LXY1101 3.1 52.9 1.0 HG22 A:ILE905 3.6 86.8 1.0 HG21 A:ILE905 4.1 86.8 1.0 HD21 A:LEU881 4.1 84.7 1.0 C39 A:LXY1101 4.3 52.9 1.0 C35 A:LXY1101 4.3 52.9 1.0 CG2 A:ILE905 4.3 86.8 1.0 HB A:ILE905 4.7 86.8 1.0 HD13 A:LEU902 4.8 93.8 1.0 HD23 A:LEU881 4.8 84.7 1.0 C34 A:LXY1101 4.8 52.9 1.0 HG13 A:ILE906 4.8 84.1 1.0 CD2 A:LEU881 4.9 84.7 1.0

Fluorine binding site 6 out of 32 in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:52.9 occ:1.00 F42 A:LXY1101 0.0 52.9 1.0 C40 A:LXY1101 1.3 52.9 1.0 F43 A:LXY1101 2.1 52.9 1.0 F41 A:LXY1101 2.1 52.9 1.0 C37 A:LXY1101 2.4 52.9 1.0 N36 A:LXY1101 2.7 52.9 1.0 HG22 A:ILE905 2.9 86.8 1.0 HB2 A:PHE909 3.1 85.7 1.0 HD21 A:LEU881 3.2 84.7 1.0 HA A:ILE906 3.4 84.1 1.0 N38 A:LXY1101 3.5 52.9 1.0 HB3 A:PHE909 3.6 85.7 1.0 CB A:PHE909 3.8 85.7 1.0 O A:ILE905 3.8 86.8 1.0 C35 A:LXY1101 4.0 52.9 1.0 CG2 A:ILE905 4.0 86.8 1.0 CG A:PHE909 4.1 85.7 1.0 HD1 A:PHE909 4.1 85.7 1.0 C A:ILE905 4.2 86.8 1.0 CD2 A:LEU881 4.2 84.7 1.0 HG12 A:ILE906 4.2 84.1 1.0 HG21 A:ILE905 4.2 86.8 1.0 HG13 A:ILE906 4.3 84.1 1.0 HG12 B:VAL942 4.3 83.4 1.0 CA A:ILE906 4.3 84.1 1.0 CD1 A:PHE909 4.3 85.7 1.0 N A:ILE906 4.3 84.1 1.0 HD22 A:LEU881 4.4 84.7 1.0 H351 A:LXY1101 4.6 52.9 1.0 C39 A:LXY1101 4.6 52.9 1.0 HD23 A:LEU881 4.6 84.7 1.0 HB A:ILE905 4.6 86.8 1.0 HG23 A:ILE905 4.6 86.8 1.0 HD11 A:LEU881 4.6 84.7 1.0 CG1 A:ILE906 4.7 84.1 1.0 CB A:ILE905 4.8 86.8 1.0 C34 A:LXY1101 4.8 52.9 1.0 CD2 A:PHE909 4.8 85.7 1.0 H A:ILE906 4.9 84.1 1.0 H A:PHE909 4.9 85.7 1.0

Fluorine binding site 7 out of 32 in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:52.9 occ:1.00 F43 A:LXY1101 0.0 52.9 1.0 C40 A:LXY1101 1.3 52.9 1.0 F42 A:LXY1101 2.1 52.9 1.0 F41 A:LXY1101 2.1 52.9 1.0 C37 A:LXY1101 2.4 52.9 1.0 N38 A:LXY1101 2.7 52.9 1.0 HG12 B:VAL942 3.1 83.4 1.0 N36 A:LXY1101 3.5 52.9 1.0 HG12 A:ILE906 3.5 84.1 1.0 C39 A:LXY1101 4.0 52.9 1.0 HG13 A:ILE906 4.1 84.1 1.0 HA A:ILE906 4.2 84.1 1.0 CG1 B:VAL942 4.2 83.4 1.0 HG23 B:VAL942 4.3 83.4 1.0 CG1 A:ILE906 4.3 84.1 1.0 C35 A:LXY1101 4.5 52.9 1.0 H391 A:LXY1101 4.6 52.9 1.0 HG11 B:VAL942 4.6 83.4 1.0 HG13 B:VAL942 4.6 83.4 1.0 HG22 A:ILE905 4.7 86.8 1.0 C34 A:LXY1101 4.8 52.9 1.0 HD11 A:LEU902 4.9 93.8 1.0 HB B:VAL942 5.0 83.4 1.0

Fluorine binding site 8 out of 32 in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:52.9 occ:1.00 F44 A:LXY1101 0.0 52.9 1.0 C4 A:LXY1101 1.4 52.9 1.0 H5 A:LXY1101 2.0 52.9 1.0 C6 A:LXY1101 2.4 52.9 1.0 C2 A:LXY1101 2.4 52.9 1.0 H3 A:LXY1101 2.4 52.9 1.0 H61 A:LXY1101 2.5 52.9 1.0 HD12 A:LEU952 2.5 77.0 1.0 HB3 A:LEU952 2.8 77.0 1.0 HD11 A:LEU956 2.8 74.9 1.0 H62 A:LXY1101 2.9 52.9 1.0 HD21 A:LEU956 3.1 74.9 1.0 H11 A:LXY1101 3.2 52.9 1.0 C1 A:LXY1101 3.3 52.9 1.0 HG A:LEU956 3.4 74.9 1.0 CD1 A:LEU952 3.4 77.0 1.0 HD11 A:LEU952 3.5 77.0 1.0 N9 A:LXY1101 3.5 52.9 1.0 HD1 A:PHE877 3.5 95.6 1.0 C7 A:LXY1101 3.6 52.9 1.0 H141 A:LXY1101 3.7 52.9 1.0 CD1 A:LEU956 3.7 74.9 1.0 CB A:LEU952 3.8 77.0 1.0 CG A:LEU956 3.9 74.9 1.0 H12 A:LXY1101 3.9 52.9 1.0 HD21 A:LEU952 3.9 77.0 1.0 CD2 A:LEU956 3.9 74.9 1.0 HD12 A:LEU956 4.1 74.9 1.0 CG A:LEU952 4.1 77.0 1.0 HB2 A:PHE877 4.2 95.6 1.0 HB2 A:LEU952 4.2 77.0 1.0 HD13 A:LEU952 4.2 77.0 1.0 H13 A:LXY1101 4.2 52.9 1.0 C14 A:LXY1101 4.3 52.9 1.0 H8 A:LXY1101 4.3 52.9 1.0 HD23 A:LEU956 4.4 74.9 1.0 CD1 A:PHE877 4.4 95.6 1.0 HD11 A:LEU870 4.4 96.0 1.0 CD2 A:LEU952 4.5 77.0 1.0 C20 A:LXY1101 4.6 52.9 1.0 HD13 A:LEU956 4.6 74.9 1.0 HD13 A:LEU870 4.6 96.0 1.0 HB3 A:PHE877 4.6 95.6 1.0 HG A:SER873 4.7 100.6 1.0 S10 A:LXY1101 4.7 52.9 1.0 HD22 A:LEU956 4.7 74.9 1.0 O A:LEU952 4.8 77.0 1.0 C13 A:LXY1101 4.8 52.9 1.0 CB A:PHE877 4.8 95.6 1.0 H221 A:LXY1101 4.9 52.9 1.0 CA A:LEU952 4.9 77.0 1.0 C A:LEU952 4.9 77.0 1.0 CD1 A:LEU870 4.9 96.0 1.0 HD12 A:LEU870 4.9 96.0 1.0 OG A:SER873 4.9 100.6 1.0 C15 A:LXY1101 5.0 52.9 1.0 HA A:LEU952 5.0 77.0 1.0

Fluorine binding site 9 out of 32 in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1101 b:52.9 occ:1.00 F19 B:LXY1101 0.0 52.9 1.0 C16 B:LXY1101 1.4 52.9 1.0 HG22 B:VAL948 2.1 78.6 1.0 HG13 B:VAL948 2.2 78.6 1.0 C15 B:LXY1101 2.3 52.9 1.0 C17 B:LXY1101 2.3 52.9 1.0 H151 B:LXY1101 2.6 52.9 1.0 H171 B:LXY1101 2.6 52.9 1.0 HE1 B:PHE944 2.7 76.6 1.0 CG2 B:VAL948 3.0 78.6 1.0 CG1 B:VAL948 3.1 78.6 1.0 HG23 B:VAL948 3.3 78.6 1.0 HG12 B:VAL948 3.4 78.6 1.0 CE1 B:PHE944 3.4 76.6 1.0 CB B:VAL948 3.5 78.6 1.0 C14 B:LXY1101 3.6 52.9 1.0 C18 B:LXY1101 3.6 52.9 1.0 HA B:LEU881 3.6 84.7 1.0 HB B:VAL948 3.7 78.6 1.0 HZ B:PHE944 3.7 76.6 1.0 HD13 B:LEU881 3.7 84.7 1.0 HG21 B:VAL948 3.8 78.6 1.0 HB2 B:LEU881 3.9 84.7 1.0 HB2 B:MET912 3.9 90.7 1.0 CZ B:PHE944 3.9 76.6 1.0 HD2 B:PHE884 3.9 76.0 1.0 HG11 B:VAL948 4.0 78.6 1.0 C13 B:LXY1101 4.1 52.9 1.0 O B:THR908 4.1 84.9 1.0 HA B:MET912 4.1 90.7 1.0 HD13 B:LEU952 4.2 77.0 1.0 HD12 B:LEU881 4.3 84.7 1.0 CD1 B:PHE944 4.4 76.6 1.0 HG3 B:MET912 4.4 90.7 1.0 H181 B:LXY1101 4.5 52.9 1.0 H141 B:LXY1101 4.5 52.9 1.0 HD23 B:LEU880 4.5 84.7 1.0 HB B:THR908 4.5 84.9 1.0 CD1 B:LEU881 4.5 84.7 1.0 CA B:LEU881 4.5 84.7 1.0 HD1 B:PHE944 4.5 76.6 1.0 CD2 B:PHE884 4.6 76.0 1.0 CB B:LEU881 4.6 84.7 1.0 CB B:MET912 4.7 90.7 1.0 HB2 B:PHE884 4.7 76.0 1.0 HA B:PHE909 4.8 85.7 1.0 CA B:MET912 4.9 90.7 1.0 HE2 B:PHE884 4.9 76.0 1.0 C B:THR908 5.0 84.9 1.0 CA B:VAL948 5.0 78.6 1.0 N B:LEU881 5.0 84.7 1.0

Fluorine binding site 10 out of 32 in the Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of Human TRPA1 in Complex with Inhibitor Gdc-0334 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1101 b:52.9 occ:1.00 F31 B:LXY1101 0.0 52.9 1.0 C30 B:LXY1101 1.3 52.9 1.0 F32 B:LXY1101 2.1 52.9 1.0 F33 B:LXY1101 2.1 52.9 1.0 C29 B:LXY1101 2.4 52.9 1.0 H281 B:LXY1101 2.5 52.9 1.0 HD13 B:LEU871 2.8 105.8 1.0 C28 B:LXY1101 2.8 52.9 1.0 C24 B:LXY1101 3.6 52.9 1.0 CD1 B:LEU871 3.7 105.8 1.0 HD12 B:LEU871 3.7 105.8 1.0 HB2 B:LEU871 3.7 105.8 1.0 HD13 C:ILE946 3.7 82.4 1.0 H232 B:LXY1101 3.8 52.9 1.0 HA B:LEU871 3.8 105.8 1.0 HG21 C:ILE946 3.8 82.4 1.0 N27 B:LXY1101 4.1 52.9 1.0 HG22 B:THR874 4.2 98.4 1.0 C23 B:LXY1101 4.2 52.9 1.0 HD11 B:LEU871 4.4 105.8 1.0 HG B:LEU870 4.4 96.0 1.0 CB B:LEU871 4.5 105.8 1.0 HD11 B:LEU867 4.5 93.8 1.0 H231 B:LXY1101 4.6 52.9 1.0 CA B:LEU871 4.6 105.8 1.0 HG22 C:ILE946 4.6 82.4 1.0 HD22 B:LEU871 4.6 105.8 1.0 CG B:LEU871 4.6 105.8 1.0 CG2 C:ILE946 4.7 82.4 1.0 C25 B:LXY1101 4.7 52.9 1.0 CD1 C:ILE946 4.8 82.4 1.0 HD13 B:LEU867 4.8 93.8 1.0 HG23 B:THR874 4.9 98.4 1.0 C26 B:LXY1101 4.9 52.9 1.0

L.Rouge, A.Rohou. An Oral TRPA1 Inhibitor to Target Neuroimmunity and Airway Constriction in Asthma To Be Published.