Chlorine in PDB 8j1b: GSK101 and Ruthenium Red Bound State of MTRPV4

The structure of GSK101 and Ruthenium Red Bound State of MTRPV4 also contains other interesting chemical elements:

Ruthenium

(Ru)

3 atoms

The binding sites of Chlorine atom in the GSK101 and Ruthenium Red Bound State of MTRPV4 (pdb code 8j1b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the GSK101 and Ruthenium Red Bound State of MTRPV4, PDB code: 8j1b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the GSK101 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of GSK101 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:53.7 occ:1.00 CL34 A:XQ3901 0.0 53.7 1.0 C33 A:XQ3901 1.8 53.7 1.0 C32 A:XQ3901 2.8 53.7 1.0 C35 A:XQ3901 2.8 53.7 1.0 O31 A:XQ3901 3.1 53.7 1.0 S30 A:XQ3901 3.1 53.7 1.0 N29 A:XQ3901 3.2 53.7 1.0 S16 A:XQ3901 3.3 53.7 1.0 C08 A:XQ3901 3.6 53.7 1.0 N06 A:XQ3901 3.9 53.7 1.0 C15 A:XQ3901 3.9 53.7 1.0 C09 A:XQ3901 4.0 53.7 1.0 C36 A:XQ3901 4.0 53.7 1.0 C39 A:XQ3901 4.1 53.7 1.0 C07 A:XQ3901 4.1 53.7 1.0 C10 A:XQ3901 4.3 53.7 1.0 CE1 A:PHE524 4.5 54.2 1.0 CZ A:PHE524 4.5 54.2 1.0 C38 A:XQ3901 4.6 53.7 1.0 O40 A:XQ3901 4.6 53.7 1.0 C26 A:XQ3901 4.6 53.7 1.0 C14 A:XQ3901 4.7 53.7 1.0 OD1 A:ASN474 4.8 53.2 1.0 C25 A:XQ3901 4.8 53.7 1.0 C18 A:XQ3901 4.9 53.7 1.0 C21 A:XQ3901 4.9 53.7 1.0 N19 A:XQ3901 4.9 53.7 1.0 N22 A:XQ3901 4.9 53.7 1.0

Chlorine binding site 2 out of 8 in the GSK101 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of GSK101 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:53.7 occ:1.00 CL37 A:XQ3901 0.0 53.7 1.0 C36 A:XQ3901 1.8 53.7 1.0 C35 A:XQ3901 2.7 53.7 1.0 C38 A:XQ3901 2.7 53.7 1.0 O A:ASN474 3.1 53.2 1.0 C A:ASN474 3.1 53.2 1.0 N A:VAL475 3.2 51.6 1.0 CA A:VAL475 3.3 51.6 1.0 CB A:PHE592 3.4 59.6 1.0 CB A:ASN474 3.6 53.2 1.0 CD1 A:PHE592 3.7 59.6 1.0 CG A:PHE592 3.8 59.6 1.0 CB A:TYR478 3.9 49.7 1.0 CB A:VAL475 4.0 51.6 1.0 CA A:ASN474 4.0 53.2 1.0 C33 A:XQ3901 4.0 53.7 1.0 C39 A:XQ3901 4.0 53.7 1.0 C A:VAL475 4.5 51.6 1.0 C32 A:XQ3901 4.5 53.7 1.0 CG A:TYR478 4.6 49.7 1.0 CA A:PHE592 4.6 59.6 1.0 CE1 A:PHE592 4.7 59.6 1.0 CD2 A:TYR478 4.7 49.7 1.0 CD2 A:PHE592 4.8 59.6 1.0 CG2 A:VAL475 4.8 51.6 1.0 O A:PHE471 4.8 57.2 1.0 CG A:ASN474 4.8 53.2 1.0 O A:VAL475 4.8 51.6 1.0

Chlorine binding site 3 out of 8 in the GSK101 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of GSK101 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl901 b:53.7 occ:1.00 CL34 B:XQ3901 0.0 53.7 1.0 C33 B:XQ3901 1.8 53.7 1.0 C32 B:XQ3901 2.8 53.7 1.0 C35 B:XQ3901 2.8 53.7 1.0 O31 B:XQ3901 3.1 53.7 1.0 S30 B:XQ3901 3.1 53.7 1.0 N29 B:XQ3901 3.2 53.7 1.0 S16 B:XQ3901 3.3 53.7 1.0 C08 B:XQ3901 3.6 53.7 1.0 N06 B:XQ3901 3.9 53.7 1.0 C15 B:XQ3901 3.9 53.7 1.0 C09 B:XQ3901 4.0 53.7 1.0 C36 B:XQ3901 4.0 53.7 1.0 C39 B:XQ3901 4.1 53.7 1.0 C07 B:XQ3901 4.1 53.7 1.0 C10 B:XQ3901 4.3 53.7 1.0 CE1 B:PHE524 4.5 54.2 1.0 CZ B:PHE524 4.5 54.2 1.0 C38 B:XQ3901 4.6 53.7 1.0 O40 B:XQ3901 4.6 53.7 1.0 C26 B:XQ3901 4.6 53.7 1.0 C14 B:XQ3901 4.7 53.7 1.0 OD1 B:ASN474 4.8 53.2 1.0 C25 B:XQ3901 4.8 53.7 1.0 C18 B:XQ3901 4.9 53.7 1.0 C21 B:XQ3901 4.9 53.7 1.0 N19 B:XQ3901 4.9 53.7 1.0 N22 B:XQ3901 4.9 53.7 1.0

Chlorine binding site 4 out of 8 in the GSK101 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of GSK101 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl901 b:53.7 occ:1.00 CL37 B:XQ3901 0.0 53.7 1.0 C36 B:XQ3901 1.8 53.7 1.0 C35 B:XQ3901 2.7 53.7 1.0 C38 B:XQ3901 2.7 53.7 1.0 O B:ASN474 3.1 53.2 1.0 C B:ASN474 3.1 53.2 1.0 N B:VAL475 3.2 51.6 1.0 CA B:VAL475 3.3 51.6 1.0 CB B:PHE592 3.4 59.6 1.0 CB B:ASN474 3.6 53.2 1.0 CD1 B:PHE592 3.7 59.6 1.0 CG B:PHE592 3.8 59.6 1.0 CB B:TYR478 3.9 49.7 1.0 CB B:VAL475 4.0 51.6 1.0 CA B:ASN474 4.0 53.2 1.0 C33 B:XQ3901 4.0 53.7 1.0 C39 B:XQ3901 4.0 53.7 1.0 C B:VAL475 4.5 51.6 1.0 C32 B:XQ3901 4.5 53.7 1.0 CG B:TYR478 4.6 49.7 1.0 CA B:PHE592 4.6 59.6 1.0 CE1 B:PHE592 4.7 59.6 1.0 CD2 B:TYR478 4.7 49.7 1.0 CD2 B:PHE592 4.8 59.6 1.0 CG2 B:VAL475 4.8 51.6 1.0 O B:PHE471 4.8 57.2 1.0 CG B:ASN474 4.8 53.2 1.0 O B:VAL475 4.8 51.6 1.0

Chlorine binding site 5 out of 8 in the GSK101 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of GSK101 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl901 b:53.7 occ:1.00 CL34 C:XQ3901 0.0 53.7 1.0 C33 C:XQ3901 1.8 53.7 1.0 C32 C:XQ3901 2.8 53.7 1.0 C35 C:XQ3901 2.8 53.7 1.0 O31 C:XQ3901 3.1 53.7 1.0 S30 C:XQ3901 3.1 53.7 1.0 N29 C:XQ3901 3.2 53.7 1.0 S16 C:XQ3901 3.3 53.7 1.0 C08 C:XQ3901 3.6 53.7 1.0 N06 C:XQ3901 3.9 53.7 1.0 C15 C:XQ3901 3.9 53.7 1.0 C09 C:XQ3901 4.0 53.7 1.0 C36 C:XQ3901 4.0 53.7 1.0 C39 C:XQ3901 4.1 53.7 1.0 C07 C:XQ3901 4.1 53.7 1.0 C10 C:XQ3901 4.3 53.7 1.0 CE1 C:PHE524 4.5 54.2 1.0 CZ C:PHE524 4.5 54.2 1.0 C38 C:XQ3901 4.6 53.7 1.0 O40 C:XQ3901 4.6 53.7 1.0 C26 C:XQ3901 4.6 53.7 1.0 C14 C:XQ3901 4.7 53.7 1.0 OD1 C:ASN474 4.8 53.2 1.0 C25 C:XQ3901 4.8 53.7 1.0 C18 C:XQ3901 4.9 53.7 1.0 C21 C:XQ3901 4.9 53.7 1.0 N19 C:XQ3901 4.9 53.7 1.0 N22 C:XQ3901 4.9 53.7 1.0

Chlorine binding site 6 out of 8 in the GSK101 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of GSK101 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl901 b:53.7 occ:1.00 CL37 C:XQ3901 0.0 53.7 1.0 C36 C:XQ3901 1.8 53.7 1.0 C35 C:XQ3901 2.7 53.7 1.0 C38 C:XQ3901 2.7 53.7 1.0 O C:ASN474 3.1 53.2 1.0 C C:ASN474 3.1 53.2 1.0 N C:VAL475 3.2 51.6 1.0 CA C:VAL475 3.3 51.6 1.0 CB C:PHE592 3.4 59.6 1.0 CB C:ASN474 3.6 53.2 1.0 CD1 C:PHE592 3.7 59.6 1.0 CG C:PHE592 3.8 59.6 1.0 CB C:TYR478 3.9 49.7 1.0 CB C:VAL475 4.0 51.6 1.0 CA C:ASN474 4.0 53.2 1.0 C33 C:XQ3901 4.0 53.7 1.0 C39 C:XQ3901 4.0 53.7 1.0 C C:VAL475 4.5 51.6 1.0 C32 C:XQ3901 4.5 53.7 1.0 CG C:TYR478 4.6 49.7 1.0 CA C:PHE592 4.6 59.6 1.0 CE1 C:PHE592 4.7 59.6 1.0 CD2 C:TYR478 4.7 49.7 1.0 CD2 C:PHE592 4.8 59.6 1.0 CG2 C:VAL475 4.8 51.6 1.0 O C:PHE471 4.8 57.2 1.0 CG C:ASN474 4.8 53.2 1.0 O C:VAL475 4.8 51.6 1.0

Chlorine binding site 7 out of 8 in the GSK101 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of GSK101 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl901 b:53.7 occ:1.00 CL34 D:XQ3901 0.0 53.7 1.0 C33 D:XQ3901 1.8 53.7 1.0 C32 D:XQ3901 2.8 53.7 1.0 C35 D:XQ3901 2.8 53.7 1.0 O31 D:XQ3901 3.1 53.7 1.0 S30 D:XQ3901 3.1 53.7 1.0 N29 D:XQ3901 3.2 53.7 1.0 S16 D:XQ3901 3.3 53.7 1.0 C08 D:XQ3901 3.6 53.7 1.0 N06 D:XQ3901 3.9 53.7 1.0 C15 D:XQ3901 3.9 53.7 1.0 C09 D:XQ3901 4.0 53.7 1.0 C36 D:XQ3901 4.0 53.7 1.0 C39 D:XQ3901 4.1 53.7 1.0 C07 D:XQ3901 4.1 53.7 1.0 C10 D:XQ3901 4.3 53.7 1.0 CE1 D:PHE524 4.5 54.2 1.0 CZ D:PHE524 4.5 54.2 1.0 C38 D:XQ3901 4.6 53.7 1.0 O40 D:XQ3901 4.6 53.7 1.0 C26 D:XQ3901 4.6 53.7 1.0 C14 D:XQ3901 4.7 53.7 1.0 OD1 D:ASN474 4.8 53.2 1.0 C25 D:XQ3901 4.8 53.7 1.0 C18 D:XQ3901 4.9 53.7 1.0 C21 D:XQ3901 4.9 53.7 1.0 N19 D:XQ3901 4.9 53.7 1.0 N22 D:XQ3901 4.9 53.7 1.0

Chlorine binding site 8 out of 8 in the GSK101 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of GSK101 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl901 b:53.7 occ:1.00 CL37 D:XQ3901 0.0 53.7 1.0 C36 D:XQ3901 1.8 53.7 1.0 C35 D:XQ3901 2.7 53.7 1.0 C38 D:XQ3901 2.7 53.7 1.0 O D:ASN474 3.1 53.2 1.0 C D:ASN474 3.1 53.2 1.0 N D:VAL475 3.2 51.6 1.0 CA D:VAL475 3.3 51.6 1.0 CB D:PHE592 3.4 59.6 1.0 CB D:ASN474 3.6 53.2 1.0 CD1 D:PHE592 3.7 59.6 1.0 CG D:PHE592 3.8 59.6 1.0 CB D:TYR478 3.9 49.7 1.0 CB D:VAL475 4.0 51.6 1.0 CA D:ASN474 4.0 53.2 1.0 C33 D:XQ3901 4.0 53.7 1.0 C39 D:XQ3901 4.0 53.7 1.0 C D:VAL475 4.5 51.6 1.0 C32 D:XQ3901 4.5 53.7 1.0 CG D:TYR478 4.6 49.7 1.0 CA D:PHE592 4.6 59.6 1.0 CE1 D:PHE592 4.7 59.6 1.0 CD2 D:TYR478 4.7 49.7 1.0 CD2 D:PHE592 4.8 59.6 1.0 CG2 D:VAL475 4.8 51.6 1.0 O D:PHE471 4.8 57.2 1.0 CG D:ASN474 4.8 53.2 1.0 O D:VAL475 4.8 51.6 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