Magnesium in PDB 1kwo: Scallop Myosin S1-Atpgammas-P-Pdm in the Actin-Detached Conformation

The structure of Scallop Myosin S1-Atpgammas-P-Pdm in the Actin-Detached Conformation, PDB code: 1kwo 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)	36.87 / 3.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	51.816, 57.028, 151.708, 95.16, 96.45, 100.93
R / Rfree (%)	23.8 / 32.8

The structure of Scallop Myosin S1-Atpgammas-P-Pdm 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-Atpgammas-P-Pdm in the Actin-Detached Conformation (pdb code 1kwo). 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-Atpgammas-P-Pdm in the Actin-Detached Conformation, PDB code: 1kwo:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Scallop Myosin S1-Atpgammas-P-Pdm 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-Atpgammas-P-Pdm in the Actin-Detached Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:7.7 occ:1.00 OG1 A:THR183 2.0 27.0 1.0 O1B A:AGS999 2.2 51.1 1.0 OG A:SER241 2.4 10.3 1.0 CB A:THR183 2.7 7.6 1.0 O2G A:AGS999 2.8 97.7 1.0 CB A:SER241 2.8 36.4 1.0 PB A:AGS999 3.3 66.1 1.0 N A:SER241 3.3 14.9 1.0 O3B A:AGS999 3.4 75.1 1.0 CG2 A:THR183 3.5 7.6 1.0 CA A:SER241 3.7 32.9 1.0 O2A A:AGS999 3.7 45.5 1.0 PG A:AGS999 3.7 0.6 1.0 O3A A:AGS999 3.8 27.9 1.0 ND2 A:ASN231 4.0 45.7 1.0 CA A:THR183 4.0 26.1 1.0 NZ A:LYS182 4.1 65.2 1.0 PA A:AGS999 4.1 22.4 1.0 N A:THR183 4.3 20.7 1.0 O A:ASN239 4.3 33.6 1.0 C A:SER240 4.3 8.6 1.0 OD1 A:ASP460 4.4 23.0 1.0 O1A A:AGS999 4.5 56.1 1.0 O2B A:AGS999 4.5 72.0 1.0 CA A:SER240 4.6 20.4 1.0 O A:THR183 4.7 70.7 1.0 C A:THR183 4.8 46.2 1.0 OD2 A:ASP460 4.8 16.1 1.0 C A:SER241 4.9 44.4 1.0 O3G A:AGS999 4.9 97.4 1.0 S1G A:AGS999 5.0 98.6 1.0 O A:SER241 5.0 45.2 1.0

Magnesium binding site 2 out of 2 in the Scallop Myosin S1-Atpgammas-P-Pdm 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-Atpgammas-P-Pdm in the Actin-Detached Conformation within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg902 b:31.1 occ:1.00 OD1 B:ASP28 1.7 49.6 1.0 OD1 B:ASP32 2.2 26.4 1.0 OD1 B:ASP39 2.4 84.0 1.0 CG B:ASP28 2.5 57.9 1.0 OD2 B:ASP30 2.6 79.0 1.0 N B:ARG31 2.7 76.7 1.0 N B:ASP32 2.8 43.6 1.0 O B:PHE34 2.9 46.9 1.0 C B:ASP28 2.9 88.5 1.0 CA B:ASP28 3.1 77.9 1.0 O B:ASP28 3.1 0.1 1.0 CA B:ARG31 3.2 62.5 1.0 CB B:ASP28 3.3 67.5 1.0 CG B:ASP32 3.3 52.6 1.0 OD2 B:ASP28 3.4 48.4 1.0 C B:ARG31 3.5 47.2 1.0 N B:ASP30 3.5 69.5 1.0 N B:VAL29 3.5 86.5 1.0 C B:ASP30 3.5 85.3 1.0 CG B:ASP39 3.6 81.2 1.0 CG B:ASP30 3.6 76.0 1.0 CA B:ASP32 3.9 52.3 1.0 C B:VAL29 3.9 73.8 1.0 CA B:ASP30 3.9 81.2 1.0 C B:PHE34 4.0 57.9 1.0 CB B:ASP32 4.0 58.1 1.0 OD2 B:ASP39 4.1 91.2 1.0 CA B:VAL29 4.3 79.0 1.0 OD2 B:ASP32 4.3 56.3 1.0 CB B:ASP30 4.4 76.2 1.0 OD1 B:ASP30 4.4 66.0 1.0 N B:GLY33 4.4 43.2 1.0 C B:ASP32 4.5 43.3 1.0 O B:ASP30 4.5 91.2 1.0 N B:ASP28 4.5 72.1 1.0 O B:VAL29 4.5 73.1 1.0 O B:ARG31 4.7 51.5 1.0 N B:PHE34 4.7 67.4 1.0 CB B:ARG31 4.7 69.0 1.0 CB B:ASP39 4.7 79.0 1.0 CA B:PHE34 4.8 55.6 1.0 C B:GLY33 4.9 72.1 1.0 N B:VAL35 4.9 50.3 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