Magnesium in PDB 8qyp: Beta-Cardiac Myosin Motor Domain in the Pre-Powerstroke State

The structure of Beta-Cardiac Myosin Motor Domain in the Pre-Powerstroke State, PDB code: 8qyp was solved by J.Robert-Paganin, C.Kikuti, D.Auguin, S.Rety, A.David, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.40 / 2.76
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.397, 94.397, 219.693, 90, 90, 90
R / Rfree (%)	19 / 24.8

The structure of Beta-Cardiac Myosin Motor Domain in the Pre-Powerstroke State also contains other interesting chemical elements:

Vanadium

(V)

1 atom

The binding sites of Magnesium atom in the Beta-Cardiac Myosin Motor Domain in the Pre-Powerstroke State (pdb code 8qyp). 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 Beta-Cardiac Myosin Motor Domain in the Pre-Powerstroke State, PDB code: 8qyp:

Magnesium binding site 1 out of 1 in the Beta-Cardiac 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 Beta-Cardiac Myosin Motor Domain in the Pre-Powerstroke State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:31.6 occ:1.00 O4 A:VO4902 2.0 65.4 1.0 OG1 A:THR185 2.0 48.8 1.0 O A:HOH1001 2.1 41.7 1.0 O A:HOH1002 2.2 47.4 1.0 O2B A:ADP901 2.3 61.9 1.0 OG A:SER242 2.5 55.9 1.0 CB A:SER242 2.7 51.8 1.0 CB A:THR185 3.3 48.3 1.0 N A:SER242 3.4 51.4 1.0 V A:VO4902 3.5 65.5 1.0 O3B A:ADP901 3.6 61.8 1.0 PB A:ADP901 3.6 61.9 1.0 CA A:SER242 3.6 51.0 1.0 O3 A:VO4902 4.0 65.1 1.0 CG2 A:THR185 4.1 47.1 1.0 OD1 A:ASP461 4.2 57.6 1.0 O1 A:VO4902 4.2 66.3 1.0 OD2 A:ASP461 4.2 59.6 1.0 N A:THR185 4.3 49.3 1.0 CA A:THR185 4.3 49.7 1.0 O2A A:ADP901 4.4 62.8 1.0 O3A A:ADP901 4.5 62.2 1.0 O2 A:VO4902 4.5 64.7 1.0 CG A:ASP461 4.6 56.7 1.0 O A:ASN240 4.6 56.0 1.0 C A:SER241 4.6 51.9 1.0 O1B A:ADP901 4.6 61.9 1.0 O A:ILE462 4.6 50.0 1.0 ND2 A:ASN232 4.7 65.2 1.0 C A:SER242 4.7 50.6 1.0 O A:SER242 4.8 51.5 1.0 PA A:ADP901 4.8 63.1 1.0 O1A A:ADP901 4.9 63.1 1.0 ND2 A:ASN238 4.9 64.4 1.0

D.Auguin, J.Robert-Paganin, S.Rety, C.Kikuti, A.David, G.Theumer, A.W.Schmidt, H.J.Knolker, A.Houdusse. Omecamtiv Mecarbil and Mavacamten Target the Same Myosin Pocket Despite Antagonistic Effects in Heart Contraction. Biorxiv 2023.
ISSN: ISSN 2692-8205
PubMed: 38014327
DOI: 10.1101/2023.11.15.567213