Magnesium in PDB 3ts5: Crystal Structure of A Light Chain Domain of Scallop Smooth Muscle Myosin

The structure of Crystal Structure of A Light Chain Domain of Scallop Smooth Muscle Myosin, PDB code: 3ts5 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)	48.75 / 2.39
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.811, 68.775, 79.418, 77.33, 85.99, 73.65
R / Rfree (%)	19.1 / 24.1

The structure of Crystal Structure of A 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 Crystal Structure of A Light Chain Domain of Scallop Smooth Muscle Myosin (pdb code 3ts5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Light Chain Domain of Scallop Smooth Muscle Myosin, PDB code: 3ts5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A 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 Crystal Structure of A Light Chain Domain of Scallop Smooth Muscle Myosin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg162 b:42.2 occ:1.00 OD2 B:ASP44 2.2 43.7 1.0 O B:PHE39 2.3 42.4 1.0 OD2 B:ASP33 2.3 43.8 1.0 CB B:ASN35 2.8 45.5 1.0 ND2 B:ASN35 2.8 56.1 1.0 CB B:ASP37 3.1 50.8 1.0 CG B:ASN35 3.1 53.7 1.0 CG B:ASP44 3.3 47.7 1.0 C B:PHE39 3.4 41.0 1.0 CG B:ASP33 3.4 43.3 1.0 OD1 B:ASP44 3.6 53.2 1.0 OD2 B:ASP37 3.7 56.6 1.0 CG B:ASP37 3.9 51.9 1.0 OD1 B:ASP33 4.0 44.9 1.0 N B:PHE39 4.1 43.2 1.0 CA B:ASN35 4.1 51.9 1.0 CA B:PHE39 4.2 43.5 1.0 CA B:ASP37 4.2 45.6 1.0 N B:ASN35 4.2 48.0 1.0 N B:ASP37 4.2 45.7 1.0 OD1 B:ASN35 4.3 62.8 1.0 N B:ILE40 4.3 42.9 1.0 CA B:ILE40 4.3 40.1 1.0 CB B:PHE39 4.4 43.8 1.0 N B:ASP41 4.4 42.2 1.0 CB B:ASP33 4.4 47.2 1.0 OD1 B:ASP41 4.5 49.5 1.0 CA B:ASP33 4.5 49.8 1.0 CB B:ASP44 4.6 40.6 1.0 CG B:ASP41 4.7 54.3 1.0 C B:ASN35 4.7 49.1 1.0 N B:GLY38 4.8 50.5 1.0 C B:ILE40 4.8 40.7 1.0 C B:ASP33 4.8 48.9 1.0 C B:ASP37 4.8 50.7 1.0 N B:ARG36 4.9 44.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A 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 Crystal Structure of A Light Chain Domain of Scallop Smooth Muscle Myosin within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg162 b:71.3 occ:1.00 OD2 E:ASP44 2.4 76.6 1.0 O E:PHE39 2.4 78.5 1.0 OD1 E:ASN35 2.6 81.6 1.0 OD2 E:ASP37 2.6 73.8 1.0 OD1 E:ASP33 2.7 65.6 1.0 ND2 E:ASN35 3.0 79.9 1.0 OD1 E:ASP41 3.1 84.0 1.0 OD1 E:ASP37 3.1 84.9 1.0 CG E:ASN35 3.1 81.9 1.0 CG E:ASP44 3.2 79.7 1.0 CG E:ASP37 3.2 76.2 1.0 CG E:ASP41 3.4 82.5 1.0 OD2 E:ASP41 3.5 82.8 1.0 C E:PHE39 3.5 75.4 1.0 OD1 E:ASP44 3.8 85.8 1.0 N E:ASP41 3.9 77.2 1.0 CG E:ASP33 3.9 69.6 1.0 CB E:ASP44 4.1 76.7 1.0 CA E:ILE40 4.1 76.2 1.0 N E:ILE40 4.2 72.9 1.0 C E:ILE40 4.3 73.8 1.0 N E:PHE39 4.4 67.8 1.0 CA E:PHE39 4.5 70.3 1.0 CB E:ASP41 4.6 81.3 1.0 CB E:ASN35 4.6 77.8 1.0 CB E:ASP37 4.6 70.3 1.0 N E:ASN35 4.7 75.9 1.0 OD2 E:ASP33 4.7 64.7 1.0 N E:ASP37 4.7 68.2 1.0 CA E:ASP33 4.8 73.0 1.0 CA E:ASP41 4.8 77.4 1.0 CB E:ASP33 4.9 71.1 1.0 C E:ASP33 5.0 73.9 1.0 N E:ARG36 5.0 73.0 1.0 CB E:PHE39 5.0 71.0 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