Magnesium in PDB 9gz1: Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten

The binding sites of Magnesium atom in the Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten (pdb code 9gz1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten, PDB code: 9gz1:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1201 b:97.7 occ:1.00 O2B A:ADP1202 1.8 91.6 1.0 O1 A:PO41203 1.9 93.8 1.0 OG1 A:THR185 1.9 92.9 1.0 P A:PO41203 3.1 93.8 1.0 OG A:SER242 3.2 85.8 1.0 CB A:THR185 3.2 92.9 1.0 PB A:ADP1202 3.3 91.6 1.0 O4 A:PO41203 3.4 93.8 1.0 O3 A:PO41203 3.7 93.8 1.0 CB A:SER242 3.7 85.8 1.0 N A:SER242 3.8 85.8 1.0 O2A A:ADP1202 3.8 91.6 1.0 N A:THR185 4.0 92.9 1.0 O3B A:ADP1202 4.1 91.6 1.0 O1B A:ADP1202 4.1 91.6 1.0 CG2 A:THR185 4.1 92.9 1.0 CA A:THR185 4.2 92.9 1.0 O3A A:ADP1202 4.2 91.6 1.0 O2 A:PO41203 4.4 93.8 1.0 CA A:SER242 4.4 85.8 1.0 PA A:ADP1202 4.5 91.6 1.0 O A:ASN240 4.5 79.7 1.0 OE1 A:GLU228 4.8 79.6 1.0 C A:SER241 4.9 83.2 1.0 O1A A:ADP1202 4.9 91.6 1.0 CA A:SER241 4.9 83.2 1.0

Magnesium binding site 2 out of 4 in the Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1201 b:94.4 occ:1.00 OG1 B:THR185 1.8 90.6 1.0 O2B B:ADP1202 1.9 105.3 1.0 O3B B:ADP1202 2.1 105.3 1.0 PB B:ADP1202 2.3 105.3 1.0 O1 B:PO41203 2.9 119.8 1.0 CB B:THR185 2.9 90.6 1.0 N B:SER242 3.0 96.1 1.0 O2A B:ADP1202 3.3 105.3 1.0 O3A B:ADP1202 3.4 105.3 1.0 CB B:SER242 3.5 96.1 1.0 O1B B:ADP1202 3.6 105.3 1.0 OG B:SER242 3.6 96.1 1.0 N B:THR185 3.6 90.6 1.0 PA B:ADP1202 3.8 105.3 1.0 O2 B:PO41203 3.8 119.8 1.0 CA B:SER242 3.8 96.1 1.0 CA B:THR185 3.9 90.6 1.0 CA B:SER241 3.9 116.4 1.0 C B:SER241 3.9 116.4 1.0 P B:PO41203 3.9 119.8 1.0 CG2 B:THR185 4.0 90.6 1.0 O1A B:ADP1202 4.1 105.3 1.0 O B:ASN240 4.2 118.5 1.0 ND2 B:ASN238 4.4 107.0 1.0 OD2 B:ASP461 4.4 100.2 1.0 NZ B:LYS184 4.5 103.2 1.0 O3 B:PO41203 4.5 119.8 1.0 OD1 B:ASP461 4.5 100.2 1.0 C B:LYS184 4.7 103.2 1.0 N B:LYS184 4.7 103.2 1.0 C B:SER242 4.8 96.1 1.0 O B:SER242 4.8 96.1 1.0 CB B:SER241 4.8 116.4 1.0 N B:SER241 4.9 116.4 1.0 CB B:LYS184 4.9 103.2 1.0 C B:ASN240 4.9 118.5 1.0 CE B:LYS184 4.9 103.2 1.0 CG B:ASP461 5.0 100.2 1.0

Magnesium binding site 3 out of 4 in the Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg201 b:184.2 occ:1.00 OD2 D:ASP41 2.2 184.0 1.0 OD1 D:ASN39 2.9 188.3 1.0 CG D:ASP41 3.0 184.0 1.0 OD1 D:ASP41 3.7 184.0 1.0 CB D:ASP48 3.7 178.6 1.0 OD2 D:ASP48 3.7 178.6 1.0 CG D:ASN39 3.8 188.3 1.0 CB D:ASP41 3.9 184.0 1.0 CG D:ASP48 3.9 178.6 1.0 O D:ILE43 4.1 183.2 1.0 CB D:ASN39 4.2 188.3 1.0 N D:ASP45 4.3 184.9 1.0 CB D:ASP45 4.4 184.9 1.0 CA D:ASP48 4.6 178.6 1.0 N D:ASP48 4.6 178.6 1.0 N D:ASN39 4.6 188.3 1.0 ND2 D:ASN39 4.8 188.3 1.0 OD1 D:ASP48 4.8 178.6 1.0 CA D:ASP45 4.9 184.9 1.0 CA D:ASN39 5.0 188.3 1.0

Magnesium binding site 4 out of 4 in the Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Beta-Cardiac Myosin Interacting Heads Motif Complexed to Mavacamten within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg201 b:178.8 occ:1.00 OD1 F:ASP48 2.1 173.7 1.0 OD1 F:ASP45 2.1 181.9 1.0 OD2 F:ASP48 2.2 173.7 1.0 CG F:ASP48 2.3 173.7 1.0 OD1 F:ASN39 2.4 187.8 1.0 CG F:ASP45 2.6 181.9 1.0 N F:ASP45 3.0 181.9 1.0 OD2 F:ASP45 3.1 181.9 1.0 CB F:ASP45 3.5 181.9 1.0 CG F:ASN39 3.6 187.8 1.0 CB F:ASP48 3.7 173.7 1.0 O F:ILE43 3.7 186.6 1.0 CA F:ASP45 3.8 181.9 1.0 C F:ILE44 4.1 188.9 1.0 CA F:ASP48 4.2 173.7 1.0 N F:GLN38 4.2 187.9 1.0 CA F:ILE44 4.3 188.9 1.0 N F:ASP48 4.3 173.7 1.0 N F:ASN39 4.4 187.8 1.0 O F:ASP45 4.4 181.9 1.0 ND2 F:ASN39 4.4 187.8 1.0 C F:ASP45 4.4 181.9 1.0 CB F:GLN38 4.5 187.9 1.0 CB F:ASN39 4.6 187.8 1.0 C F:ILE43 4.7 186.6 1.0 CA F:GLN38 4.8 187.9 1.0 N F:ILE44 5.0 188.9 1.0

S.N.Mcmillan, J.R.T.Pitts, B.Barua, D.A.Winkelmann, C.A.Scarff. Mavacamten Inhibits Myosin Activity By Stabilising the Myosin Interacting-Heads Motif and Stalling Motor Force Generation. Biorxiv 2025.
ISSN: ISSN 2692-8205
PubMed: 39990378
DOI: 10.1101/2025.02.12.637875