Magnesium in PDB 2otg: Rigor-Like Structures of Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor

The structure of Rigor-Like Structures of Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor, PDB code: 2otg was solved by Y.Yang, S.Gourinath, M.Kovacs, L.Nyitray, R.Reutzel, D.M.Himmel, E.O'neall-Hennessey, L.Reshetnikova, A.G.Szent-Gyorgyi, J.H.Brown, C.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 3.12
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	87.087, 51.689, 159.900, 90.00, 100.77, 90.00
R / Rfree (%)	27.6 / 30.4

The structure of Rigor-Like Structures of Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Rigor-Like Structures of Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor (pdb code 2otg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Rigor-Like Structures of Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor, PDB code: 2otg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Rigor-Like Structures of Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Rigor-Like Structures of Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg990 b:95.1 occ:1.00 O B:PHE34 2.1 0.9 1.0 OD2 B:ASP39 2.3 0.4 1.0 CG B:ASP39 2.5 0.8 1.0 OD1 B:ASN30 2.6 0.8 1.0 OD1 B:ASP39 2.6 0.6 1.0 OD1 B:ASP32 2.7 0.5 1.0 OD1 B:ASP28 2.9 0.8 1.0 ND2 B:ASN30 2.9 0.9 1.0 CG B:ASN30 2.9 0.1 1.0 OD1 B:ASP36 3.0 95.5 1.0 C B:PHE34 3.2 1.0 1.0 CG B:ASP32 3.3 0.8 1.0 CB B:ASP39 3.5 0.9 1.0 CG B:ASP36 3.6 0.9 1.0 N B:ASP36 3.6 0.6 1.0 OD2 B:ASP36 3.8 94.4 1.0 CG B:ASP28 3.9 0.2 1.0 OD2 B:ASP32 3.9 0.7 1.0 CA B:ILE35 3.9 0.3 1.0 N B:ILE35 4.0 0.5 1.0 CB B:ASP32 4.1 0.2 1.0 N B:PHE34 4.1 0.1 1.0 CB B:ASN30 4.2 0.1 1.0 CB B:ASP28 4.2 0.6 1.0 CA B:PHE34 4.2 0.4 1.0 C B:ILE35 4.2 0.5 1.0 N B:ASP32 4.4 0.8 1.0 CA B:ASP28 4.6 0.7 1.0 N B:ASN30 4.6 1.0 1.0 CA B:ASP32 4.7 0.2 1.0 N B:ARG31 4.7 0.8 1.0 CA B:ASP36 4.7 0.9 1.0 CB B:ASP36 4.8 0.4 1.0 CB B:PHE34 4.8 0.1 1.0 CA B:ASP39 4.8 0.9 1.0 CA B:ASN30 4.9 0.4 1.0 N B:GLY33 5.0 0.9 1.0 C B:ASP32 5.0 0.2 1.0 OD2 B:ASP28 5.0 0.9 1.0

Magnesium binding site 2 out of 2 in the Rigor-Like Structures of Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Rigor-Like Structures of Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg839 b:0.0 occ:1.00 O3B A:ADP999 2.3 0.0 1.0 OG A:SER241 2.4 89.0 1.0 OG1 A:THR183 2.6 72.8 1.0 O1B A:ADP999 2.9 8.6 1.0 PB A:ADP999 3.1 10.9 1.0 O1A A:ADP999 3.3 15.7 1.0 N A:SER241 3.5 87.1 1.0 CB A:SER241 3.7 88.5 1.0 PA A:ADP999 3.7 14.7 1.0 CB A:THR183 3.9 72.6 1.0 O3A A:ADP999 4.0 12.2 1.0 CA A:SER241 4.1 87.4 1.0 O A:SER241 4.2 85.6 1.0 O2B A:ADP999 4.3 13.2 1.0 NZ A:LYS182 4.5 60.4 1.0 C A:SER240 4.5 87.0 1.0 CA A:SER240 4.6 88.4 1.0 N A:THR183 4.6 68.4 1.0 C A:SER241 4.7 86.1 1.0 CG2 A:THR183 4.7 75.8 1.0 CE A:LYS182 4.8 59.7 1.0 CA A:THR183 4.8 72.2 1.0 OD2 A:ASP460 4.9 1.0 1.0 O A:ASN239 4.9 87.6 1.0 O2A A:ADP999 4.9 6.5 1.0 OD1 A:ASN237 5.0 0.2 1.0 CG A:LYS182 5.0 60.1 1.0

Y.Yang, S.Gourinath, M.Kovacs, L.Nyitray, R.Reutzel, D.M.Himmel, E.O'neall-Hennessey, L.Reshetnikova, A.G.Szent-Gyorgyi, J.H.Brown, C.Cohen. Rigor-Like Structures From Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor. Structure V. 15 553 2007.
ISSN: ISSN 0969-2126
PubMed: 17502101
DOI: 10.1016/J.STR.2007.03.010