Ruthenium 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:

Chlorine

(Cl)

8 atoms

The binding sites of Ruthenium 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 Ruthenium atom.
In total 3 binding sites of Ruthenium where determined in the GSK101 and Ruthenium Red Bound State of MTRPV4, PDB code: 8j1b:
Jump to Ruthenium binding site number: 1; 2; 3;

Ruthenium binding site 1 out of 3 in the GSK101 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru 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:Ru902 b:20.0 occ:1.00 RU2 A:R2R902 0.0 20.0 1.0 O13 A:R2R902 1.8 20.0 1.0 O06 A:R2R902 1.8 20.0 1.0 N01 A:R2R902 2.0 20.0 1.0 N05 A:R2R902 2.0 20.0 1.0 N04 A:R2R902 2.0 20.0 1.0 N03 A:R2R902 2.0 20.0 1.0 RU1 A:R2R902 3.7 20.0 1.0 RU3 A:R2R902 3.7 20.0 1.0 N11 A:R2R902 4.2 20.0 1.0 N10 A:R2R902 4.2 20.0 1.0 N12 A:R2R902 4.2 20.0 1.0 N19 A:R2R902 4.2 20.0 1.0 N18 A:R2R902 4.2 20.0 1.0 N09 A:R2R902 4.2 20.0 1.0 N17 A:R2R902 4.2 20.0 1.0 N16 A:R2R902 4.2 20.0 1.0 N D:ASP682 4.3 59.5 1.0 N C:ASP682 4.3 59.5 1.0 N B:ASP682 4.3 59.5 1.0 N A:ASP682 4.3 59.5 1.0 CA D:ASP682 4.8 59.5 1.0 CA C:ASP682 4.8 59.5 1.0 CA B:ASP682 4.8 59.5 1.0 CA A:ASP682 4.8 59.5 1.0

Ruthenium binding site 2 out of 3 in the GSK101 and Ruthenium Red Bound State of MTRPV4


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru 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:Ru902 b:20.0 occ:1.00 RU3 A:R2R902 0.0 20.0 1.0 O06 A:R2R902 1.8 20.0 1.0 N10 A:R2R902 2.0 20.0 1.0 N12 A:R2R902 2.0 20.0 1.0 N08 A:R2R902 2.0 20.0 1.0 N11 A:R2R902 2.0 20.0 1.0 N09 A:R2R902 2.0 20.0 1.0 RU2 A:R2R902 3.7 20.0 1.0 N03 A:R2R902 4.2 20.0 1.0 N01 A:R2R902 4.2 20.0 1.0 N04 A:R2R902 4.2 20.0 1.0 N05 A:R2R902 4.2 20.0 1.0

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


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 3 of GSK101 and Ruthenium Red Bound State of MTRPV4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru902 b:20.0 occ:1.00 RU1 A:R2R902 0.0 20.0 1.0 O13 A:R2R902 1.8 20.0 1.0 N18 A:R2R902 2.0 20.0 1.0 N17 A:R2R902 2.0 20.0 1.0 N19 A:R2R902 2.0 20.0 1.0 N15 A:R2R902 2.0 20.0 1.0 N16 A:R2R902 2.0 20.0 1.0 RU2 A:R2R902 3.7 20.0 1.0 N04 A:R2R902 4.2 20.0 1.0 N01 A:R2R902 4.2 20.0 1.0 N05 A:R2R902 4.2 20.0 1.0 N03 A:R2R902 4.2 20.0 1.0 O D:MET680 4.4 57.4 1.0 O C:MET680 4.4 57.4 1.0 O B:MET680 4.4 57.4 1.0 O A:MET680 4.4 57.4 1.0 CE A:MET680 4.6 57.4 1.0 CE C:MET680 4.7 57.4 1.0 CE D:MET680 4.7 57.4 1.0 CE B:MET680 4.7 57.4 1.0 C D:MET680 4.9 57.4 1.0 C C:MET680 5.0 57.4 1.0 CA D:GLY681 5.0 55.7 1.0 C B:MET680 5.0 57.4 1.0 CA B:GLY681 5.0 55.7 1.0 CA C:GLY681 5.0 55.7 1.0 C A:MET680 5.0 57.4 1.0 CA A:GLY681 5.0 55.7 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