Magnesium in PDB 8fc7: Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745

All present enzymatic activity of Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745:
3.6.5.2;

The binding sites of Magnesium atom in the Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745 (pdb code 8fc7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745, PDB code: 8fc7:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg301 b:130.8 occ:1.00 HG1 E:THR19 2.2 153.1 1.0 O E:THR37 2.2 153.4 1.0 O1B E:GDP302 2.3 162.5 1.0 OG1 E:THR19 2.4 153.1 1.0 HA E:THR37 2.7 153.4 1.0 C E:THR37 2.9 153.4 1.0 HB E:THR19 3.2 153.1 1.0 CB E:THR19 3.3 153.1 1.0 HG21 E:THR19 3.3 153.1 1.0 CA E:THR37 3.4 153.4 1.0 O E:PRO36 3.4 154.8 1.0 PB E:GDP302 3.7 162.5 1.0 O2A E:GDP302 3.7 162.5 1.0 HA E:VAL38 3.8 146.3 1.0 CG2 E:THR19 3.9 153.1 1.0 HB2 E:ALA61 3.9 158.0 1.0 N E:VAL38 3.9 146.3 1.0 O3B E:GDP302 4.0 162.5 1.0 H E:THR19 4.1 153.1 1.0 C E:PRO36 4.2 154.8 1.0 OG1 E:THR37 4.3 153.4 1.0 N E:THR37 4.3 153.4 1.0 HG12 E:VAL35 4.3 156.5 1.0 HG12 E:VAL38 4.4 146.3 1.0 HG23 E:THR19 4.4 153.1 1.0 HZ3 E:LYS18 4.4 156.0 1.0 CB E:THR37 4.4 153.4 1.0 CA E:VAL38 4.5 146.3 1.0 PA E:GDP302 4.6 162.5 1.0 O3A E:GDP302 4.6 162.5 1.0 O2B E:GDP302 4.6 162.5 1.0 CA E:THR19 4.6 153.1 1.0 OD2 E:ASP59 4.7 143.7 1.0 HG22 E:THR19 4.7 153.1 1.0 H E:VAL38 4.7 146.3 1.0 HG1 E:THR37 4.7 153.4 1.0 O1A E:GDP302 4.8 162.5 1.0 N E:THR19 4.8 153.1 1.0 HB1 E:ALA61 4.8 158.0 1.0 CB E:ALA61 4.8 158.0 1.0

Magnesium binding site 2 out of 4 in the Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745 within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg301 b:130.8 occ:1.00 HG1 F:THR19 2.2 153.1 1.0 O F:THR37 2.2 153.4 1.0 O1B F:GDP302 2.3 162.5 1.0 OG1 F:THR19 2.4 153.1 1.0 HA F:THR37 2.7 153.4 1.0 C F:THR37 2.9 153.4 1.0 HB F:THR19 3.2 153.1 1.0 CB F:THR19 3.3 153.1 1.0 HG21 F:THR19 3.3 153.1 1.0 CA F:THR37 3.4 153.4 1.0 O F:PRO36 3.4 154.8 1.0 PB F:GDP302 3.7 162.5 1.0 O2A F:GDP302 3.7 162.5 1.0 HA F:VAL38 3.8 146.3 1.0 CG2 F:THR19 3.9 153.1 1.0 HB2 F:ALA61 3.9 158.0 1.0 N F:VAL38 3.9 146.3 1.0 O3B F:GDP302 4.0 162.5 1.0 H F:THR19 4.1 153.1 1.0 C F:PRO36 4.2 154.8 1.0 OG1 F:THR37 4.3 153.4 1.0 N F:THR37 4.3 153.4 1.0 HG12 F:VAL35 4.3 156.5 1.0 HG12 F:VAL38 4.4 146.3 1.0 HG23 F:THR19 4.4 153.1 1.0 HZ3 F:LYS18 4.4 156.0 1.0 CB F:THR37 4.5 153.4 1.0 CA F:VAL38 4.5 146.3 1.0 PA F:GDP302 4.6 162.5 1.0 O3A F:GDP302 4.6 162.5 1.0 O2B F:GDP302 4.6 162.5 1.0 CA F:THR19 4.6 153.1 1.0 OD2 F:ASP59 4.7 143.7 1.0 HG22 F:THR19 4.7 153.1 1.0 H F:VAL38 4.7 146.3 1.0 HG1 F:THR37 4.7 153.4 1.0 O1A F:GDP302 4.8 162.5 1.0 N F:THR19 4.8 153.1 1.0 HB1 F:ALA61 4.8 158.0 1.0 CB F:ALA61 4.8 158.0 1.0

Magnesium binding site 3 out of 4 in the Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745 within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg301 b:130.8 occ:1.00 HG1 G:THR19 2.2 153.1 1.0 O G:THR37 2.2 153.4 1.0 O1B G:GDP302 2.3 162.5 1.0 OG1 G:THR19 2.4 153.1 1.0 HA G:THR37 2.7 153.4 1.0 C G:THR37 2.9 153.4 1.0 HB G:THR19 3.2 153.1 1.0 CB G:THR19 3.3 153.1 1.0 HG21 G:THR19 3.3 153.1 1.0 CA G:THR37 3.4 153.4 1.0 O G:PRO36 3.4 154.8 1.0 PB G:GDP302 3.7 162.5 1.0 O2A G:GDP302 3.7 162.5 1.0 HA G:VAL38 3.8 146.3 1.0 CG2 G:THR19 3.9 153.1 1.0 HB2 G:ALA61 3.9 158.0 1.0 N G:VAL38 3.9 146.3 1.0 O3B G:GDP302 4.0 162.5 1.0 H G:THR19 4.1 153.1 1.0 C G:PRO36 4.2 154.8 1.0 OG1 G:THR37 4.3 153.4 1.0 N G:THR37 4.3 153.4 1.0 HG12 G:VAL35 4.3 156.5 1.0 HG12 G:VAL38 4.4 146.3 1.0 HG23 G:THR19 4.4 153.1 1.0 HZ3 G:LYS18 4.4 156.0 1.0 CB G:THR37 4.4 153.4 1.0 CA G:VAL38 4.5 146.3 1.0 PA G:GDP302 4.6 162.5 1.0 O3A G:GDP302 4.6 162.5 1.0 O2B G:GDP302 4.6 162.5 1.0 CA G:THR19 4.6 153.1 1.0 OD2 G:ASP59 4.7 143.7 1.0 HG22 G:THR19 4.7 153.1 1.0 H G:VAL38 4.7 146.3 1.0 HG1 G:THR37 4.7 153.4 1.0 O1A G:GDP302 4.8 162.5 1.0 N G:THR19 4.8 153.1 1.0 HB1 G:ALA61 4.8 158.0 1.0 CB G:ALA61 4.8 158.0 1.0

Magnesium binding site 4 out of 4 in the Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cryo-Em Structure of the Human TRPV4 - Rhoa in Complex with GSK2798745 within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg301 b:130.8 occ:1.00 HG1 H:THR19 2.2 153.1 1.0 O H:THR37 2.2 153.4 1.0 O1B H:GDP302 2.3 162.5 1.0 OG1 H:THR19 2.4 153.1 1.0 HA H:THR37 2.7 153.4 1.0 C H:THR37 2.9 153.4 1.0 HB H:THR19 3.2 153.1 1.0 CB H:THR19 3.3 153.1 1.0 HG21 H:THR19 3.3 153.1 1.0 CA H:THR37 3.4 153.4 1.0 O H:PRO36 3.4 154.8 1.0 PB H:GDP302 3.7 162.5 1.0 O2A H:GDP302 3.7 162.5 1.0 HA H:VAL38 3.8 146.3 1.0 CG2 H:THR19 3.9 153.1 1.0 HB2 H:ALA61 3.9 158.0 1.0 N H:VAL38 3.9 146.3 1.0 O3B H:GDP302 4.0 162.5 1.0 H H:THR19 4.1 153.1 1.0 C H:PRO36 4.2 154.8 1.0 OG1 H:THR37 4.3 153.4 1.0 N H:THR37 4.3 153.4 1.0 HG12 H:VAL35 4.3 156.5 1.0 HG12 H:VAL38 4.4 146.3 1.0 HG23 H:THR19 4.4 153.1 1.0 HZ3 H:LYS18 4.4 156.0 1.0 CB H:THR37 4.4 153.4 1.0 CA H:VAL38 4.5 146.3 1.0 PA H:GDP302 4.6 162.5 1.0 O3A H:GDP302 4.6 162.5 1.0 O2B H:GDP302 4.6 162.5 1.0 CA H:THR19 4.6 153.1 1.0 OD2 H:ASP59 4.7 143.7 1.0 HG22 H:THR19 4.7 153.1 1.0 H H:VAL38 4.7 146.3 1.0 HG1 H:THR37 4.7 153.4 1.0 O1A H:GDP302 4.8 162.5 1.0 N H:THR19 4.8 153.1 1.0 HB1 H:ALA61 4.8 158.0 1.0 CB H:ALA61 4.8 158.0 1.0

D.H.Kwon, F.Zhang, B.A.Mccray, S.Feng, M.Kumar, J.M.Sullivan, W.Im, C.J.Sumner, S.Y.Lee. TRPV4-Rho Gtpase Complex Structures Reveal Mechanisms of Gating and Disease. Nat Commun V. 14 3732 2023.
ISSN: ESSN 2041-1723
PubMed: 37353484
DOI: 10.1038/S41467-023-39345-0