Magnesium in PDB 3tuy: Phosphorylated Light Chain Domain of Scallop Smooth Muscle Myosin

The structure of Phosphorylated Light Chain Domain of Scallop Smooth Muscle Myosin, PDB code: 3tuy was solved by V.S.S.Kumar, E.O'neall-Hennessey, L.Reshetnikova, J.H.Brown, H.Robinson, A.G.Szent-Gyorgyi, C.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.83 / 2.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.946, 69.232, 79.503, 77.20, 85.99, 73.44
R / Rfree (%)	20 / 25.2

The structure of Phosphorylated Light Chain Domain of Scallop Smooth Muscle Myosin also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Phosphorylated Light Chain Domain of Scallop Smooth Muscle Myosin (pdb code 3tuy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Phosphorylated Light Chain Domain of Scallop Smooth Muscle Myosin, PDB code: 3tuy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Phosphorylated Light Chain Domain of Scallop Smooth Muscle Myosin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Phosphorylated Light Chain Domain of Scallop Smooth Muscle Myosin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg162 b:35.8 occ:1.00 OD2 B:ASP33 2.2 37.9 1.0 OD2 B:ASP44 2.3 40.1 1.0 O B:PHE39 2.4 37.5 1.0 CB B:ASP37 2.5 40.4 1.0 OD2 B:ASP37 2.6 51.7 1.0 CB B:ASN35 2.6 37.6 1.0 OD1 B:ASN35 2.7 50.2 1.0 CG B:ASP37 2.9 47.2 1.0 CG B:ASN35 3.0 48.8 1.0 CG B:ASP44 3.1 40.4 1.0 OD1 B:ASP44 3.2 46.3 1.0 CG B:ASP33 3.4 38.5 1.0 C B:PHE39 3.6 33.3 1.0 CA B:ASN35 3.7 43.2 1.0 N B:ASN35 3.7 41.8 1.0 CA B:ASP37 3.8 42.6 1.0 N B:ASP37 3.8 48.2 1.0 OD1 B:ASP33 4.0 38.6 1.0 OD1 B:ASP37 4.1 50.7 1.0 N B:ARG36 4.2 37.2 1.0 ND2 B:ASN35 4.2 56.2 1.0 C B:ASN35 4.3 42.0 1.0 N B:PHE39 4.3 41.0 1.0 C B:ASP33 4.4 40.1 1.0 OD1 B:ASP41 4.4 45.4 1.0 CA B:ASP33 4.4 36.4 1.0 CB B:ASP33 4.4 37.4 1.0 CA B:PHE39 4.5 36.4 1.0 CB B:ASP44 4.5 34.8 1.0 N B:ILE40 4.6 30.0 1.0 O B:ASP33 4.6 39.3 1.0 CA B:ILE40 4.6 34.7 1.0 C B:ASP37 4.7 48.1 1.0 N B:ASP41 4.7 34.9 1.0 N B:GLN34 4.8 40.3 1.0 CG B:ASP41 4.8 47.8 1.0 N B:GLY38 4.8 44.3 1.0 C B:GLN34 4.8 40.2 1.0 CB B:PHE39 4.9 36.6 1.0 C B:ARG36 4.9 39.3 1.0 OD2 B:ASP41 5.0 52.8 1.0

Magnesium binding site 2 out of 2 in the Phosphorylated Light Chain Domain of Scallop Smooth Muscle Myosin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Phosphorylated Light Chain Domain of Scallop Smooth Muscle Myosin within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg162 b:67.8 occ:1.00 OD2 E:ASP44 2.2 73.5 1.0 OD1 E:ASP33 2.3 61.3 1.0 O E:PHE39 2.4 69.0 1.0 OD2 E:ASP37 2.4 64.3 1.0 OD1 E:ASN35 2.7 70.2 1.0 O E:HOH174 2.8 66.2 1.0 CG E:ASP44 2.9 76.5 1.0 ND2 E:ASN35 3.1 65.9 1.0 CG E:ASN35 3.1 73.6 1.0 OD1 E:ASP44 3.2 75.3 1.0 C E:PHE39 3.4 67.6 1.0 CG E:ASP37 3.5 64.2 1.0 CG E:ASP33 3.5 62.1 1.0 N E:ASP41 3.7 73.3 1.0 CA E:ILE40 4.0 71.5 1.0 OD1 E:ASP37 4.0 64.2 1.0 CB E:ASP44 4.1 72.9 1.0 OD2 E:ASP41 4.1 90.0 1.0 N E:ILE40 4.1 67.8 1.0 N E:PHE39 4.1 65.2 1.0 C E:ILE40 4.2 68.7 1.0 CB E:ASP41 4.2 76.7 1.0 N E:ASN35 4.3 69.5 1.0 OD2 E:ASP33 4.3 56.0 1.0 CA E:PHE39 4.4 65.0 1.0 CA E:ASP33 4.4 63.4 1.0 CB E:ASN35 4.4 69.4 1.0 CG E:ASP41 4.5 80.9 1.0 N E:ASP37 4.5 62.6 1.0 C E:ASP33 4.5 62.9 1.0 CB E:ASP33 4.5 60.6 1.0 CB E:ASP37 4.5 64.7 1.0 CA E:ASP41 4.6 75.1 1.0 N E:GLN34 4.6 59.2 1.0 CA E:ASN35 4.7 64.5 1.0 N E:GLY38 4.7 69.7 1.0 N E:ARG36 4.7 62.7 1.0 C E:ASN35 4.8 65.5 1.0 O E:ASP33 5.0 58.1 1.0

V.S.Senthil Kumar, E.O'neall-Hennessey, L.Reshetnikova, J.H.Brown, H.Robinson, A.G.Szent-Gyorgyi, C.Cohen. Crystal Structure of A Phosphorylated Light Chain Domain of Scallop Smooth-Muscle Myosin. Biophys.J. V. 101 2185 2011.
ISSN: ISSN 0006-3495
PubMed: 22067157
DOI: 10.1016/J.BPJ.2011.09.028