Magnesium in PDB 6ysy: Skeletal Myosin Bound to Mph-220, Mgadp-VO4

The structure of Skeletal Myosin Bound to Mph-220, Mgadp-VO4, PDB code: 6ysy was solved by L.Canon, C.M.Kikuti, M.Gyimesi, A.Malnasi-Csizmadia, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	98.93 / 3.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.607, 119.424, 176.631, 90, 90, 90
R / Rfree (%)	21.8 / 23.2

The structure of Skeletal Myosin Bound to Mph-220, Mgadp-VO4 also contains other interesting chemical elements:

Vanadium

(V)

1 atom

The binding sites of Magnesium atom in the Skeletal Myosin Bound to Mph-220, Mgadp-VO4 (pdb code 6ysy). 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 Skeletal Myosin Bound to Mph-220, Mgadp-VO4, PDB code: 6ysy:

Magnesium binding site 1 out of 1 in the Skeletal Myosin Bound to Mph-220, Mgadp-VO4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Skeletal Myosin Bound to Mph-220, Mgadp-VO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2003 b:52.7 occ:1.00 OG1 A:THR186 1.8 71.0 1.0 O A:HOH2102 1.8 73.6 1.0 OG A:SER245 2.2 91.4 1.0 O3B A:ADP2001 2.2 71.6 1.0 O2 A:VO42002 2.4 90.8 1.0 O A:HOH2101 2.6 66.2 1.0 CB A:THR186 2.9 69.8 1.0 CB A:SER245 3.1 90.0 1.0 PB A:ADP2001 3.5 72.9 1.0 N A:SER245 3.8 90.1 1.0 N A:THR186 3.8 71.5 1.0 CG2 A:THR186 3.8 69.5 1.0 CA A:THR186 3.9 70.9 1.0 O2B A:ADP2001 3.9 70.9 1.0 O2A A:ADP2001 4.0 79.0 1.0 OD1 A:ASP464 4.0 113.3 1.0 CA A:SER245 4.0 90.5 1.0 V A:VO42002 4.0 87.3 1.0 OD2 A:ASP464 4.1 113.0 1.0 O1B A:ADP2001 4.3 70.2 1.0 CG A:ASP464 4.5 109.8 1.0 O A:ASN243 4.5 86.4 1.0 O3A A:ADP2001 4.5 75.2 1.0 PA A:ADP2001 4.6 78.7 1.0 O1A A:ADP2001 4.6 78.7 1.0 O3 A:VO42002 4.7 90.5 1.0 ND2 A:ASN235 4.7 100.9 1.0 C A:SER244 4.8 89.5 1.0 ND2 A:ASN241 4.9 92.3 1.0 C A:LYS185 4.9 71.5 1.0

M.Gyimesi, A.I.Horvath, D.Turos, S.K.Suthar, M.Penzes, C.Kurdi, L.Canon, C.Kikuti, K.M.Ruppel, D.V.Trivedi, J.A.Spudich, I.Lorincz, A.A.Rauscher, M.Kovacs, E.Pal, S.Komoly, A.Houdusse, A.Malnasi-Csizmadia. Single Residue Variation in Skeletal Muscle Myosin Enables Direct and Selective Drug Targeting For Spasticity and Muscle Stiffness. Cell V. 183 335 2020.
ISSN: ISSN 1097-4172
PubMed: 33035452
DOI: 10.1016/J.CELL.2020.08.050