Vanadium 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:

Magnesium

(Mg)

1 atom

The binding sites of Vanadium 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 Vanadium atom.
In total only one binding site of Vanadium was determined in the Beta-Cardiac Myosin Motor Domain in the Pre-Powerstroke State, PDB code: 8qyp:

Vanadium 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 Vanadium with other atoms in the V 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:V902 b:65.5 occ:1.00 V A:VO4902 0.0 65.5 1.0 O3 A:VO4902 1.5 65.1 1.0 O4 A:VO4902 1.6 65.4 1.0 O2 A:VO4902 1.6 64.7 1.0 O1 A:VO4902 1.6 66.3 1.0 O3B A:ADP901 2.2 61.8 1.0 OG A:SER241 3.3 56.8 1.0 MG A:MG903 3.5 31.6 1.0 PB A:ADP901 3.5 61.9 1.0 N A:SER242 3.6 51.4 1.0 O2B A:ADP901 3.7 61.9 1.0 N A:GLY464 3.8 58.5 1.0 OG A:SER180 3.9 59.8 1.0 CA A:SER180 4.0 54.5 1.0 ND2 A:ASN238 4.0 64.4 1.0 O A:HOH1001 4.0 41.7 1.0 O A:SER242 4.1 51.5 1.0 CA A:SER241 4.2 52.6 1.0 NZ A:LYS184 4.2 47.3 1.0 N A:GLY181 4.2 55.9 1.0 O1B A:ADP901 4.2 61.9 1.0 O A:HOH1002 4.3 47.4 1.0 CB A:SER242 4.3 51.8 1.0 CB A:SER180 4.3 56.8 1.0 CB A:SER241 4.4 53.9 1.0 C A:SER241 4.4 51.9 1.0 CA A:SER242 4.5 51.0 1.0 CA A:ALA463 4.5 54.3 1.0 CA A:GLY464 4.5 58.6 1.0 O3A A:ADP901 4.6 62.2 1.0 C A:SER180 4.7 55.5 1.0 C A:ALA463 4.7 57.5 1.0 CE A:LYS184 4.7 46.9 1.0 C A:SER242 4.8 50.6 1.0 O A:GLU179 4.9 55.0 1.0 N A:SER180 5.0 53.9 1.0 CG A:ASN238 5.0 63.7 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