Fluorine in PDB 8j1h: AGONIST1 and Ruthenium Red Bound State of MTRPV4

The binding sites of Fluorine atom in the AGONIST1 and Ruthenium Red Bound State of MTRPV4 (pdb code 8j1h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the AGONIST1 and Ruthenium Red Bound State of MTRPV4, PDB code: 8j1h:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in the AGONIST1 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of AGONIST1 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ C:F901 b:110.9 occ:1.00 F1 C:9QM901 0.0 110.9 1.0 C11 C:9QM901 1.4 110.9 1.0 C15 C:9QM901 2.4 110.9 1.0 C9 C:9QM901 2.4 110.9 1.0 H16 C:9QM901 2.6 110.9 1.0 N4 C:9QM901 2.7 110.9 1.0 O C:PHE549 2.9 109.3 1.0 HA C:GLN550 2.9 105.5 1.0 HB3 C:PHE549 3.5 109.3 1.0 C C:PHE549 3.5 109.3 1.0 HB3 C:TYR553 3.6 104.5 1.0 C16 C:9QM901 3.6 110.9 1.0 C10 C:9QM901 3.7 110.9 1.0 HB2 C:TYR553 3.7 104.5 1.0 CA C:GLN550 3.8 105.5 1.0 N C:GLN550 3.9 105.5 1.0 C5 C:9QM901 4.1 110.9 1.0 CB C:TYR553 4.1 104.5 1.0 C12 C:9QM901 4.1 110.9 1.0 HZ C:PHE524 4.2 116.0 1.0 H C:TYR553 4.2 104.5 1.0 H11 C:9QM901 4.3 110.9 1.0 CB C:PHE549 4.3 109.3 1.0 H4 C:9QM901 4.3 110.9 1.0 HB3 C:GLN550 4.4 105.5 1.0 HD22 C:ASN588 4.4 93.9 1.0 HD1 C:PHE592 4.5 106.8 1.0 N2 C:9QM901 4.5 110.9 1.0 H17 C:9QM901 4.5 110.9 1.0 HB2 C:PHE549 4.5 109.3 1.0 HE2 C:PHE524 4.6 116.0 1.0 CA C:PHE549 4.6 109.3 1.0 H C:GLN550 4.6 105.5 1.0 CD1 C:PHE592 4.6 106.8 1.0 CB C:GLN550 4.7 105.5 1.0 C6 C:9QM901 4.8 110.9 1.0 HB2 C:PHE592 4.8 106.8 1.0 H10 C:9QM901 4.8 110.9 1.0 C C:GLN550 4.8 105.5 1.0 H9 C:9QM901 4.8 110.9 1.0 C7 C:9QM901 4.8 110.9 1.0 CE1 C:PHE592 4.9 106.8 1.0 CZ C:PHE524 4.9 116.0 1.0 HE1 C:PHE592 4.9 106.8 1.0 HB2 C:GLN550 4.9 105.5 1.0 O C:GLN550 4.9 105.5 1.0 N C:TYR553 4.9 104.5 1.0 N1 C:9QM901 5.0 110.9 1.0 C2 C:9QM901 5.0 110.9 1.0

Fluorine binding site 2 out of 8 in the AGONIST1 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of AGONIST1 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ C:F901 b:110.9 occ:1.00 F2 C:9QM901 0.0 110.9 1.0 C25 C:9QM901 1.4 110.9 1.0 C24 C:9QM901 2.3 110.9 1.0 C23 C:9QM901 2.5 110.9 1.0 H23 C:9QM901 2.6 110.9 1.0 H22 C:9QM901 2.8 110.9 1.0 C21 C:9QM901 3.7 110.9 1.0 C22 C:9QM901 3.7 110.9 1.0 C20 C:9QM901 4.2 110.9 1.0 H20 C:9QM901 4.6 110.9 1.0 H21 C:9QM901 4.6 110.9 1.0 HG22 C:ILE473 4.7 86.5 1.0 HG21 C:ILE473 4.9 86.5 1.0

Fluorine binding site 3 out of 8 in the AGONIST1 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of AGONIST1 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ D:F901 b:110.9 occ:1.00 F1 D:9QM901 0.0 110.9 1.0 C11 D:9QM901 1.4 110.9 1.0 C15 D:9QM901 2.4 110.9 1.0 C9 D:9QM901 2.4 110.9 1.0 H16 D:9QM901 2.6 110.9 1.0 N4 D:9QM901 2.7 110.9 1.0 O D:PHE549 2.9 109.3 1.0 HA D:GLN550 2.9 105.5 1.0 HB3 D:PHE549 3.5 109.3 1.0 C D:PHE549 3.5 109.3 1.0 HB3 D:TYR553 3.6 104.5 1.0 C16 D:9QM901 3.6 110.9 1.0 C10 D:9QM901 3.7 110.9 1.0 HB2 D:TYR553 3.7 104.5 1.0 CA D:GLN550 3.8 105.5 1.0 N D:GLN550 3.9 105.5 1.0 C5 D:9QM901 4.1 110.9 1.0 CB D:TYR553 4.1 104.5 1.0 C12 D:9QM901 4.1 110.9 1.0 HZ D:PHE524 4.2 116.0 1.0 H D:TYR553 4.2 104.5 1.0 H11 D:9QM901 4.3 110.9 1.0 CB D:PHE549 4.3 109.3 1.0 H4 D:9QM901 4.3 110.9 1.0 HB3 D:GLN550 4.4 105.5 1.0 HD22 D:ASN588 4.4 93.9 1.0 HD1 D:PHE592 4.5 106.8 1.0 N2 D:9QM901 4.5 110.9 1.0 H17 D:9QM901 4.5 110.9 1.0 HB2 D:PHE549 4.5 109.3 1.0 HE2 D:PHE524 4.6 116.0 1.0 CA D:PHE549 4.6 109.3 1.0 H D:GLN550 4.6 105.5 1.0 CD1 D:PHE592 4.6 106.8 1.0 CB D:GLN550 4.7 105.5 1.0 C6 D:9QM901 4.8 110.9 1.0 HB2 D:PHE592 4.8 106.8 1.0 H10 D:9QM901 4.8 110.9 1.0 C D:GLN550 4.8 105.5 1.0 H9 D:9QM901 4.8 110.9 1.0 C7 D:9QM901 4.8 110.9 1.0 CE1 D:PHE592 4.9 106.8 1.0 HE1 D:PHE592 4.9 106.8 1.0 CZ D:PHE524 4.9 116.0 1.0 HB2 D:GLN550 4.9 105.5 1.0 O D:GLN550 4.9 105.5 1.0 N D:TYR553 4.9 104.5 1.0 N1 D:9QM901 5.0 110.9 1.0 C2 D:9QM901 5.0 110.9 1.0

Fluorine binding site 4 out of 8 in the AGONIST1 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of AGONIST1 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ D:F901 b:110.9 occ:1.00 F2 D:9QM901 0.0 110.9 1.0 C25 D:9QM901 1.4 110.9 1.0 C24 D:9QM901 2.3 110.9 1.0 C23 D:9QM901 2.5 110.9 1.0 H23 D:9QM901 2.6 110.9 1.0 H22 D:9QM901 2.8 110.9 1.0 C21 D:9QM901 3.7 110.9 1.0 C22 D:9QM901 3.7 110.9 1.0 C20 D:9QM901 4.2 110.9 1.0 H20 D:9QM901 4.6 110.9 1.0 H21 D:9QM901 4.6 110.9 1.0 HG22 D:ILE473 4.7 86.5 1.0 HG21 D:ILE473 4.9 86.5 1.0

Fluorine binding site 5 out of 8 in the AGONIST1 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of AGONIST1 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ B:F901 b:110.9 occ:1.00 F1 B:9QM901 0.0 110.9 1.0 C11 B:9QM901 1.4 110.9 1.0 C15 B:9QM901 2.4 110.9 1.0 C9 B:9QM901 2.4 110.9 1.0 H16 B:9QM901 2.6 110.9 1.0 N4 B:9QM901 2.7 110.9 1.0 O B:PHE549 2.9 109.3 1.0 HA B:GLN550 2.9 105.5 1.0 HB3 B:PHE549 3.5 109.3 1.0 C B:PHE549 3.5 109.3 1.0 HB3 B:TYR553 3.6 104.5 1.0 C16 B:9QM901 3.6 110.9 1.0 C10 B:9QM901 3.7 110.9 1.0 HB2 B:TYR553 3.7 104.5 1.0 CA B:GLN550 3.8 105.5 1.0 N B:GLN550 3.9 105.5 1.0 C5 B:9QM901 4.1 110.9 1.0 CB B:TYR553 4.1 104.5 1.0 C12 B:9QM901 4.1 110.9 1.0 HZ B:PHE524 4.2 116.0 1.0 H B:TYR553 4.2 104.5 1.0 H11 B:9QM901 4.3 110.9 1.0 CB B:PHE549 4.3 109.3 1.0 H4 B:9QM901 4.3 110.9 1.0 HB3 B:GLN550 4.4 105.5 1.0 HD22 B:ASN588 4.4 93.9 1.0 HD1 B:PHE592 4.5 106.8 1.0 N2 B:9QM901 4.5 110.9 1.0 H17 B:9QM901 4.5 110.9 1.0 HB2 B:PHE549 4.5 109.3 1.0 HE2 B:PHE524 4.6 116.0 1.0 CA B:PHE549 4.6 109.3 1.0 H B:GLN550 4.6 105.5 1.0 CD1 B:PHE592 4.6 106.8 1.0 CB B:GLN550 4.7 105.5 1.0 C6 B:9QM901 4.8 110.9 1.0 HB2 B:PHE592 4.8 106.8 1.0 H10 B:9QM901 4.8 110.9 1.0 C B:GLN550 4.8 105.5 1.0 H9 B:9QM901 4.8 110.9 1.0 C7 B:9QM901 4.8 110.9 1.0 CE1 B:PHE592 4.9 106.8 1.0 CZ B:PHE524 4.9 116.0 1.0 HE1 B:PHE592 4.9 106.8 1.0 HB2 B:GLN550 4.9 105.5 1.0 O B:GLN550 4.9 105.5 1.0 N B:TYR553 4.9 104.5 1.0 N1 B:9QM901 5.0 110.9 1.0 C2 B:9QM901 5.0 110.9 1.0

Fluorine binding site 6 out of 8 in the AGONIST1 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of AGONIST1 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ B:F901 b:110.9 occ:1.00 F2 B:9QM901 0.0 110.9 1.0 C25 B:9QM901 1.4 110.9 1.0 C24 B:9QM901 2.3 110.9 1.0 C23 B:9QM901 2.5 110.9 1.0 H23 B:9QM901 2.6 110.9 1.0 H22 B:9QM901 2.8 110.9 1.0 C21 B:9QM901 3.7 110.9 1.0 C22 B:9QM901 3.7 110.9 1.0 C20 B:9QM901 4.2 110.9 1.0 H20 B:9QM901 4.6 110.9 1.0 H21 B:9QM901 4.6 110.9 1.0 HG22 B:ILE473 4.7 86.5 1.0 HG21 B:ILE473 4.9 86.5 1.0

Fluorine binding site 7 out of 8 in the AGONIST1 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of AGONIST1 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:110.9 occ:1.00 F1 A:9QM901 0.0 110.9 1.0 C11 A:9QM901 1.4 110.9 1.0 C15 A:9QM901 2.4 110.9 1.0 C9 A:9QM901 2.4 110.9 1.0 H16 A:9QM901 2.6 110.9 1.0 N4 A:9QM901 2.7 110.9 1.0 O A:PHE549 2.9 109.3 1.0 HA A:GLN550 2.9 105.5 1.0 HB3 A:PHE549 3.5 109.3 1.0 C A:PHE549 3.5 109.3 1.0 HB3 A:TYR553 3.6 104.5 1.0 C16 A:9QM901 3.6 110.9 1.0 C10 A:9QM901 3.7 110.9 1.0 HB2 A:TYR553 3.7 104.5 1.0 CA A:GLN550 3.8 105.5 1.0 N A:GLN550 3.9 105.5 1.0 C5 A:9QM901 4.1 110.9 1.0 CB A:TYR553 4.1 104.5 1.0 C12 A:9QM901 4.1 110.9 1.0 HZ A:PHE524 4.2 116.0 1.0 H A:TYR553 4.2 104.5 1.0 H11 A:9QM901 4.3 110.9 1.0 CB A:PHE549 4.3 109.3 1.0 H4 A:9QM901 4.3 110.9 1.0 HB3 A:GLN550 4.4 105.5 1.0 HD22 A:ASN588 4.4 93.9 1.0 HD1 A:PHE592 4.5 106.8 1.0 N2 A:9QM901 4.5 110.9 1.0 H17 A:9QM901 4.5 110.9 1.0 HB2 A:PHE549 4.5 109.3 1.0 HE2 A:PHE524 4.6 116.0 1.0 CA A:PHE549 4.6 109.3 1.0 H A:GLN550 4.6 105.5 1.0 CD1 A:PHE592 4.6 106.8 1.0 CB A:GLN550 4.7 105.5 1.0 C6 A:9QM901 4.8 110.9 1.0 HB2 A:PHE592 4.8 106.8 1.0 H10 A:9QM901 4.8 110.9 1.0 C A:GLN550 4.8 105.5 1.0 H9 A:9QM901 4.8 110.9 1.0 C7 A:9QM901 4.8 110.9 1.0 CE1 A:PHE592 4.9 106.8 1.0 HE1 A:PHE592 4.9 106.8 1.0 CZ A:PHE524 4.9 116.0 1.0 HB2 A:GLN550 4.9 105.5 1.0 O A:GLN550 4.9 105.5 1.0 N A:TYR553 4.9 104.5 1.0 N1 A:9QM901 5.0 110.9 1.0 C2 A:9QM901 5.0 110.9 1.0

Fluorine binding site 8 out of 8 in the AGONIST1 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of AGONIST1 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:110.9 occ:1.00 F2 A:9QM901 0.0 110.9 1.0 C25 A:9QM901 1.4 110.9 1.0 C24 A:9QM901 2.3 110.9 1.0 C23 A:9QM901 2.5 110.9 1.0 H23 A:9QM901 2.6 110.9 1.0 H22 A:9QM901 2.8 110.9 1.0 C21 A:9QM901 3.7 110.9 1.0 C22 A:9QM901 3.7 110.9 1.0 C20 A:9QM901 4.2 110.9 1.0 H20 A:9QM901 4.6 110.9 1.0 H21 A:9QM901 4.6 110.9 1.0 HG22 A:ILE473 4.7 86.5 1.0 HG21 A:ILE473 4.9 86.5 1.0

W.Zhen, Z.Zhao, S.Chang, X.Chen, Y.Wan, F.Yang. Structural Basis of Ligand Activation and Inhibition in A Mammalian TRPV4 Ion Channel. Cell Discov V. 9 70 2023.
ISSN: ESSN 2056-5968
PubMed: 37429860
DOI: 10.1038/S41421-023-00579-3