Magnesium in PDB 5n6a: Cardiac Muscle Myosin Motor Domain in the Pre-Powerstroke State

The structure of Cardiac Muscle Myosin Motor Domain in the Pre-Powerstroke State, PDB code: 5n6a was solved by V.J.Planelles-Herrero, J.J.Hartman, J.Robert-Paganin, F.I.Malik, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.83 / 3.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	87.660, 149.830, 154.260, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 32

The binding sites of Magnesium atom in the Cardiac Muscle Myosin Motor Domain in the Pre-Powerstroke State (pdb code 5n6a). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Cardiac Muscle Myosin Motor Domain in the Pre-Powerstroke State, PDB code: 5n6a:

Magnesium binding site 1 out of 1 in the Cardiac Muscle Myosin Motor Domain in the Pre-Powerstroke State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cardiac Muscle Myosin Motor Domain in the Pre-Powerstroke State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:70.3 occ:1.00 OG1 A:THR185 2.0 55.4 1.0 O4 A:PO4902 2.0 35.4 1.0 O3B A:ADP901 2.1 60.9 1.0 OG A:SER242 2.3 60.3 1.0 O A:HOH1004 2.4 26.5 1.0 O A:HOH1003 2.8 18.6 1.0 CB A:SER242 2.9 53.7 1.0 CB A:THR185 3.2 53.9 1.0 OD1 A:ASP461 3.4 84.8 1.0 PB A:ADP901 3.5 61.6 1.0 P A:PO4902 3.6 32.0 1.0 O1B A:ADP901 3.8 61.4 1.0 N A:SER242 3.9 52.4 1.0 N A:THR185 3.9 45.2 1.0 CA A:SER242 4.0 51.8 1.0 O3A A:ADP901 4.1 57.8 1.0 CA A:THR185 4.1 45.9 1.0 CG A:ASP461 4.2 82.4 1.0 O2 A:PO4902 4.2 33.6 1.0 OD2 A:ASP461 4.2 91.2 1.0 CG2 A:THR185 4.2 52.8 1.0 O1 A:PO4902 4.4 35.8 1.0 CE A:LYS184 4.4 46.9 1.0 O3 A:PO4902 4.5 25.1 1.0 O2B A:ADP901 4.6 62.5 1.0 O1A A:ADP901 4.7 55.5 1.0 CB A:LYS184 4.7 45.9 1.0 O A:HOH1008 4.7 41.5 1.0 O2A A:ADP901 4.8 52.6 1.0 PA A:ADP901 4.8 54.2 1.0 O A:ILE462 4.9 55.5 1.0 O A:SER242 5.0 57.5 1.0 NZ A:LYS184 5.0 39.9 1.0

V.J.Planelles-Herrero, J.J.Hartman, J.Robert-Paganin, F.I.Malik, A.Houdusse. Mechanistic and Structural Basis For Activation of Cardiac Myosin Force Production By Omecamtiv Mecarbil. Nat Commun V. 8 190 2017.
ISSN: ESSN 2041-1723
PubMed: 28775348
DOI: 10.1038/S41467-017-00176-5