Magnesium in PDB 6fsa: Beta-Cardiac Myosin Post-Rigor

The structure of Beta-Cardiac Myosin Post-Rigor, PDB code: 6fsa was solved by J.Robert-Paganin, D.Auguin, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.97 / 2.33
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.118, 94.319, 125.411, 104.76, 92.34, 100.06
R / Rfree (%)	19 / 22.7

The binding sites of Magnesium atom in the Beta-Cardiac Myosin Post-Rigor (pdb code 6fsa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Beta-Cardiac Myosin Post-Rigor, PDB code: 6fsa:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Beta-Cardiac Myosin Post-Rigor


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 Post-Rigor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2001 b:39.7 occ:1.00 O1B A:ADP2002 2.8 35.2 1.0 OG1 A:THR185 2.8 30.3 1.0 O A:ASN240 2.9 28.6 1.0 N A:SER242 3.0 27.5 1.0 O A:HOH2163 3.2 29.4 1.0 OG A:SER242 3.3 48.4 1.0 CB A:SER242 3.6 29.2 1.0 CB A:THR185 3.6 26.9 1.0 O1A A:ADP2002 3.6 33.7 1.0 O A:HOH2167 3.7 31.5 1.0 PB A:ADP2002 3.7 29.3 1.0 O3B A:ADP2002 3.7 31.5 1.0 ND2 A:ASN238 3.7 23.1 1.0 CA A:SER241 3.7 23.9 1.0 C A:SER241 3.7 28.9 1.0 CA A:SER242 3.9 26.8 1.0 C A:ASN240 3.9 27.2 1.0 ND2 A:ASN232 4.1 18.3 1.0 O3A A:ADP2002 4.2 25.4 1.0 N A:SER241 4.3 25.6 1.0 CG2 A:THR185 4.3 13.3 1.0 PA A:ADP2002 4.4 24.4 1.0 CA A:THR185 4.8 27.4 1.0 O A:SER241 4.8 26.5 1.0 N A:THR185 4.9 28.8 1.0 O2A A:ADP2002 4.9 26.1 1.0 CG A:ASN238 4.9 23.8 1.0 CG A:ASN232 5.0 30.0 1.0 CB A:SER241 5.0 26.3 1.0

Magnesium binding site 2 out of 2 in the Beta-Cardiac Myosin Post-Rigor


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 Post-Rigor within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:65.9 occ:1.00 O3B B:ADP2002 2.1 43.8 1.0 OG1 B:THR185 2.8 40.8 1.0 OG B:SER242 3.2 63.7 1.0 PB B:ADP2002 3.2 41.4 1.0 O2B B:ADP2002 3.3 40.2 1.0 CB B:SER242 3.3 47.0 1.0 N B:SER242 3.3 42.9 1.0 O B:HOH2185 3.4 49.5 1.0 CB B:THR185 3.7 41.1 1.0 CA B:SER242 3.9 42.7 1.0 O B:ASN240 4.0 42.1 1.0 O3A B:ADP2002 4.1 40.5 1.0 O2A B:ADP2002 4.1 40.2 1.0 ND2 B:ASN238 4.2 34.4 1.0 C B:SER241 4.3 45.9 1.0 CA B:SER241 4.4 40.7 1.0 N B:THR185 4.4 37.3 1.0 O1B B:ADP2002 4.4 41.3 1.0 PA B:ADP2002 4.5 38.0 1.0 CA B:THR185 4.6 36.7 1.0 O1A B:ADP2002 4.7 39.9 1.0 CG2 B:THR185 4.7 37.5 1.0 O B:SER242 4.8 43.2 1.0 O B:HOH2326 4.9 46.4 1.0 C B:SER242 4.9 46.0 1.0 ND2 B:ASN232 5.0 41.3 1.0 C B:ASN240 5.0 43.3 1.0

J.Robert-Paganin, D.Auguin, A.Houdusse. Hypertrophic Cardiomyopathy Disease Results From Disparate Impairments of Cardiac Myosin Function and Auto-Inhibition. Nat Commun V. 9 4019 2018.
ISSN: ESSN 2041-1723
PubMed: 30275503
DOI: 10.1038/S41467-018-06191-4