Magnesium in PDB 1kk7: Scallop Myosin in the Near Rigor Conformation

The structure of Scallop Myosin in the Near Rigor Conformation, PDB code: 1kk7 was solved by D.M.Himmel, S.Gourinath, L.Reshetnikova, Y.Shen, 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)	48.72 / 3.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	159.849, 51.227, 84.073, 90.00, 99.48, 90.00
R / Rfree (%)	25.9 / 31.3

The structure of Scallop Myosin in the Near Rigor Conformation also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Scallop Myosin in the Near Rigor Conformation (pdb code 1kk7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Scallop Myosin in the Near Rigor Conformation, PDB code: 1kk7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Scallop Myosin in the Near Rigor Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Scallop Myosin in the Near Rigor Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg996 b:38.1 occ:1.00 OG1 A:THR183 2.2 90.2 1.0 OG A:SER241 2.3 60.3 1.0 CB A:SER241 2.6 61.0 1.0 N A:SER241 2.8 0.3 1.0 O3 A:SO4995 3.0 0.3 1.0 O4 A:SO4995 3.1 74.0 1.0 O A:HOH997 3.1 44.9 1.0 CA A:SER241 3.3 0.7 1.0 CB A:THR183 3.3 86.8 1.0 S A:SO4995 3.5 89.8 1.0 O1 A:SO4995 3.9 0.0 1.0 C A:SER240 4.0 68.2 1.0 O A:ASN239 4.1 0.8 1.0 CG2 A:THR183 4.2 85.4 1.0 CA A:SER240 4.3 70.5 1.0 C A:SER241 4.3 0.9 1.0 CA A:THR183 4.4 76.0 1.0 N A:THR183 4.5 73.6 1.0 O A:SER241 4.6 0.7 1.0 OD2 A:ASP460 4.8 0.7 1.0 C A:ASN239 4.8 0.8 1.0 O2 A:SO4995 4.8 0.5 1.0 N A:SER240 4.9 72.8 1.0

Magnesium binding site 2 out of 2 in the Scallop Myosin in the Near Rigor Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Scallop Myosin in the Near Rigor Conformation within 5.0Å range: probe atom residue distance (Å) B Occ Y:Mg997 b:0.1 occ:1.00 OD1 Y:ASP39 2.6 0.1 1.0 O Y:PHE34 2.8 0.5 1.0 OD2 Y:ASP39 2.9 0.8 1.0 OD1 Y:ASP28 2.9 0.9 1.0 OG Y:SER36 3.0 0.9 1.0 CG Y:ASP39 3.0 0.2 1.0 N Y:SER36 3.1 0.8 1.0 CB Y:ASP28 3.2 0.6 1.0 CG Y:ASP28 3.3 0.2 1.0 CA Y:VAL35 3.4 0.5 1.0 C Y:PHE34 3.6 0.5 1.0 C Y:VAL35 3.6 0.5 1.0 CB Y:SER36 3.8 0.9 1.0 OD2 Y:ASP30 3.8 0.0 1.0 N Y:VAL35 3.9 0.5 1.0 OD2 Y:ASP32 3.9 1.0 1.0 CA Y:SER36 4.0 0.8 1.0 CA Y:ASP28 4.0 1.0 1.0 CE1 Y:PHE24 4.1 0.5 1.0 OD2 Y:ASP28 4.2 0.9 1.0 OD1 Y:ASP32 4.5 0.4 1.0 CB Y:ASP39 4.5 0.6 1.0 CG Y:ASP32 4.5 0.7 1.0 CG Y:ASP30 4.6 0.0 1.0 O Y:VAL35 4.6 0.5 1.0 C Y:SER36 4.7 0.8 1.0 CB Y:VAL35 4.8 0.8 1.0 OD1 Y:ASP30 4.8 0.0 1.0 C Y:ASP28 4.8 1.0 1.0 CA Y:PHE34 4.8 0.5 1.0 N Y:PHE34 4.9 0.5 1.0 CD1 Y:PHE24 4.9 0.5 1.0 O Y:SER36 5.0 0.8 1.0

D.M.Himmel, S.Gourinath, L.Reshetnikova, Y.Shen, A.G.Szent-Gyorgyi, C.Cohen. Crystallographic Findings on the Internally Uncoupled and Near-Rigor States of Myosin: Further Insights Into the Mechanics of the Motor. Proc.Natl.Acad.Sci.Usa V. 99 12645 2002.
ISSN: ISSN 0027-8424
PubMed: 12297624
DOI: 10.1073/PNAS.202476799