Magnesium in PDB 1kqm: Scallop Myosin S1-Amppnp in the Actin-Detached Conformation

The structure of Scallop Myosin S1-Amppnp in the Actin-Detached Conformation, PDB code: 1kqm was solved by D.M.Himmel, S.Gourinath, L.Reshetnikova, Y.Shen, G.Szent-Gyorgyi, C.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.81 / 3.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	52.396, 58.642, 148.873, 81.64, 82.39, 87.43
R / Rfree (%)	27.7 / 31.6

The structure of Scallop Myosin S1-Amppnp in the Actin-Detached Conformation also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Scallop Myosin S1-Amppnp in the Actin-Detached Conformation (pdb code 1kqm). 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 S1-Amppnp in the Actin-Detached Conformation, PDB code: 1kqm:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Scallop Myosin S1-Amppnp in the Actin-Detached 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 S1-Amppnp in the Actin-Detached Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:58.9 occ:1.00 OG A:SER241 2.0 87.1 1.0 OG1 A:THR183 2.0 55.4 1.0 O3G A:ANP999 2.2 19.0 1.0 CB A:THR183 2.5 75.7 1.0 O2B A:ANP999 2.7 12.5 1.0 CG2 A:THR183 2.8 48.0 1.0 O A:HOH1003 2.8 31.6 1.0 O1A A:ANP999 3.1 20.1 1.0 N A:SER241 3.3 41.8 1.0 CB A:SER241 3.4 41.6 1.0 PG A:ANP999 3.6 36.4 1.0 O A:ASN239 3.7 52.3 1.0 O2A A:ANP999 3.8 9.5 1.0 PB A:ANP999 3.8 17.7 1.0 PA A:ANP999 3.8 17.2 1.0 CA A:SER241 3.8 44.3 1.0 CA A:THR183 4.0 60.1 1.0 N3B A:ANP999 4.0 16.3 1.0 O3A A:ANP999 4.2 22.4 1.0 C A:SER240 4.2 59.9 1.0 ND2 A:ASN231 4.3 24.0 1.0 N A:THR183 4.4 70.9 1.0 O2G A:ANP999 4.5 34.6 1.0 CA A:SER240 4.5 76.5 1.0 O1G A:ANP999 4.5 17.4 1.0 OD1 A:ASP460 4.7 46.3 1.0 C A:ASN239 4.7 73.3 1.0 NZ A:LYS182 4.8 0.2 1.0 C A:THR183 4.9 47.7 1.0

Magnesium binding site 2 out of 2 in the Scallop Myosin S1-Amppnp in the Actin-Detached 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 S1-Amppnp in the Actin-Detached Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:99.2 occ:1.00 OD1 B:ASP28 1.8 0.1 1.0 OD2 B:ASP30 1.9 0.7 1.0 O B:PHE34 1.9 82.7 1.0 OD2 B:ASP39 2.4 0.1 1.0 OD1 B:ASP32 2.7 0.3 1.0 CG B:ASP32 2.7 86.1 1.0 O B:HOH503 2.7 53.3 1.0 OD2 B:ASP32 2.8 73.9 1.0 CG B:ASP28 2.9 0.3 1.0 CG B:ASP30 3.0 84.6 1.0 C B:PHE34 3.1 86.9 1.0 OD2 B:ASP28 3.4 82.1 1.0 N B:PHE34 3.4 78.4 1.0 N B:ASP32 3.4 81.9 1.0 CG B:ASP39 3.5 0.1 1.0 CB B:ASP32 3.6 73.5 1.0 OD1 B:ASP30 3.7 79.2 1.0 N B:GLY33 3.8 0.1 1.0 CA B:PHE34 3.8 78.9 1.0 OD1 B:ASP39 3.9 0.1 1.0 N B:ARG31 3.9 77.3 1.0 CA B:ASP32 3.9 92.6 1.0 CB B:ASP28 4.1 0.0 1.0 CB B:ASP30 4.1 78.6 1.0 N B:VAL35 4.2 86.8 1.0 C B:ASP32 4.2 0.8 1.0 N B:ASP30 4.4 0.6 1.0 CB B:PHE34 4.4 55.8 1.0 C B:GLY33 4.4 79.6 1.0 CA B:ASP28 4.5 0.3 1.0 CA B:VAL35 4.5 72.0 1.0 C B:ARG31 4.5 85.9 1.0 C B:ASP30 4.5 80.8 1.0 CA B:ASP30 4.6 85.0 1.0 CA B:ARG31 4.6 78.8 1.0 CA B:GLY33 4.7 91.5 1.0 CB B:ASP39 4.7 0.9 1.0 N B:VAL29 4.8 0.1 1.0 C B:ASP28 4.8 0.6 1.0 OG B:SER36 4.9 0.6 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