Vanadium in PDB 9htg: Beta-Cardiac Myosin E497D Mutant Motor Domain in the Pre-Powerstroke State, Mgadp.VO4 Form

The structure of Beta-Cardiac Myosin E497D Mutant Motor Domain in the Pre-Powerstroke State, Mgadp.VO4 Form, PDB code: 9htg was solved by C.Glaser, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.62 / 2.60
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.427, 93.427, 220.258, 90, 90, 90
R / Rfree (%)	20.1 / 24.9

The structure of Beta-Cardiac Myosin E497D Mutant Motor Domain in the Pre-Powerstroke State, Mgadp.VO4 Form also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Vanadium atom in the Beta-Cardiac Myosin E497D Mutant Motor Domain in the Pre-Powerstroke State, Mgadp.VO4 Form (pdb code 9htg). 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 E497D Mutant Motor Domain in the Pre-Powerstroke State, Mgadp.VO4 Form, PDB code: 9htg:

Vanadium binding site 1 out of 1 in the Beta-Cardiac Myosin E497D Mutant Motor Domain in the Pre-Powerstroke State, Mgadp.VO4 Form


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 E497D Mutant Motor Domain in the Pre-Powerstroke State, Mgadp.VO4 Form within 5.0Å range: probe atom residue distance (Å) B Occ A:V903 b:56.8 occ:1.00 V A:VO4903 0.0 56.8 1.0 O4 A:VO4903 1.6 56.6 1.0 O1 A:VO4903 1.6 56.6 1.0 O2 A:VO4903 1.6 56.8 1.0 O3 A:VO4903 1.6 57.3 1.0 O1B A:ADP902 2.3 52.1 1.0 PB A:ADP902 3.5 52.3 1.0 MG A:MG901 3.5 25.7 1.0 OG A:SER241 3.6 52.9 1.0 N A:SER242 3.7 45.0 1.0 N A:GLY464 3.7 54.9 1.0 O2B A:ADP902 3.8 52.3 1.0 OG A:SER180 3.9 49.0 1.0 O A:HOH1002 3.9 37.4 1.0 ND2 A:ASN238 4.0 62.2 1.0 CA A:SER180 4.1 45.2 1.0 N A:GLY181 4.2 44.7 1.0 O3B A:ADP902 4.2 51.9 1.0 CA A:SER241 4.2 47.9 1.0 NZ A:LYS184 4.2 42.1 1.0 O A:HOH1003 4.3 50.2 1.0 O A:SER242 4.3 42.2 1.0 OG A:SER242 4.4 44.2 1.0 CA A:GLY464 4.4 55.9 1.0 C A:SER241 4.4 46.7 1.0 CB A:SER180 4.5 46.4 1.0 CB A:SER241 4.5 49.8 1.0 CB A:SER242 4.5 43.6 1.0 CE A:LYS184 4.6 42.2 1.0 CA A:SER242 4.6 43.6 1.0 CA A:ALA463 4.6 52.5 1.0 C A:SER180 4.6 45.0 1.0 O3A A:ADP902 4.7 52.6 1.0 C A:ALA463 4.7 54.0 1.0 C A:SER242 4.9 42.3 1.0 O A:ILE462 5.0 49.3 1.0

N.Nandwani, D.Bhowmik, C.Glaser, M.C.Childers, R.R.Goluguri, A.Dawood, M.Regnier, A.Houdusse, J.A.Spudich, K.M.Ruppel. Hypertrophic Cardiomyopathy Mutations Y115H and E497D Disrupt the Folded-Back State of Human Beta-Cardiac Myosin Allosterically. Nat Commun V. 16 8751 2025.
ISSN: ESSN 2041-1723
PubMed: 41034214
DOI: 10.1038/S41467-025-63816-1