Magnesium in PDB 4e7s: Myosin VI D23R I24R R569E (Md) Pre-Powerstroke State

The structure of Myosin VI D23R I24R R569E (Md) Pre-Powerstroke State, PDB code: 4e7s was solved by T.Isabet, H.L.Sweeney, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.77 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.947, 135.140, 196.540, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.6

The structure of Myosin VI D23R I24R R569E (Md) Pre-Powerstroke State also contains other interesting chemical elements:

Vanadium

(V)

2 atoms

The binding sites of Magnesium atom in the Myosin VI D23R I24R R569E (Md) Pre-Powerstroke State (pdb code 4e7s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Myosin VI D23R I24R R569E (Md) Pre-Powerstroke State, PDB code: 4e7s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Myosin VI D23R I24R R569E (Md) Pre-Powerstroke State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Myosin VI D23R I24R R569E (Md) Pre-Powerstroke State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg803 b:37.0 occ:1.00 O2 A:VO4802 2.0 40.0 1.0 O1B A:ADP801 2.1 30.3 1.0 OG1 A:THR158 2.1 40.0 1.0 O A:HOH901 2.2 37.7 1.0 O A:HOH902 2.3 35.5 1.0 OG A:SER204 2.4 35.1 1.0 CB A:THR158 3.0 34.1 1.0 CB A:SER204 3.3 37.1 1.0 PB A:ADP801 3.3 34.1 1.0 O2B A:ADP801 3.6 35.5 1.0 V A:VO4802 3.6 35.9 1.0 N A:THR158 3.9 34.8 1.0 N A:SER204 3.9 37.2 1.0 CA A:THR158 3.9 32.4 1.0 OD2 A:ASP456 4.1 47.7 1.0 CG2 A:THR158 4.1 33.8 1.0 O2A A:ADP801 4.1 30.2 1.0 OD1 A:ASP456 4.1 50.0 1.0 CA A:SER204 4.2 35.8 1.0 O3A A:ADP801 4.3 30.5 1.0 O A:HOH956 4.4 43.0 1.0 O3B A:ADP801 4.4 32.9 1.0 PA A:ADP801 4.5 32.4 1.0 O A:HOH1060 4.5 53.3 1.0 CG A:ASP456 4.5 49.5 1.0 O4 A:VO4802 4.6 35.8 1.0 O1A A:ADP801 4.6 31.9 1.0 O1 A:VO4802 4.6 36.6 1.0 O A:ASN202 4.7 36.0 1.0 O A:HOH1099 4.8 50.0 1.0 O A:ILE457 4.8 35.6 1.0 ND2 A:ASN200 4.9 34.8 1.0 ND2 A:ASN194 5.0 36.5 1.0 CE A:LYS157 5.0 31.1 1.0 CB A:LYS157 5.0 30.6 1.0 C A:SER203 5.0 36.1 1.0 O3 A:VO4802 5.0 37.4 1.0 C A:LYS157 5.0 36.1 1.0

Magnesium binding site 2 out of 2 in the Myosin VI D23R I24R R569E (Md) Pre-Powerstroke State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Myosin VI D23R I24R R569E (Md) Pre-Powerstroke State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg803 b:35.9 occ:1.00 O2 B:VO4802 2.0 38.1 1.0 OG1 B:THR158 2.2 41.8 1.0 O1B B:ADP801 2.2 30.7 1.0 O B:HOH901 2.2 38.4 1.0 O B:HOH902 2.2 34.5 1.0 OG B:SER204 2.3 37.5 1.0 CB B:THR158 2.9 39.3 1.0 CB B:SER204 3.3 39.8 1.0 PB B:ADP801 3.4 35.4 1.0 O2B B:ADP801 3.7 33.7 1.0 V B:VO4802 3.7 35.4 1.0 N B:SER204 3.9 41.5 1.0 N B:THR158 3.9 38.0 1.0 CA B:THR158 3.9 42.1 1.0 CG2 B:THR158 4.0 39.9 1.0 O2A B:ADP801 4.1 32.4 1.0 OD2 B:ASP456 4.1 47.7 1.0 OD1 B:ASP456 4.1 50.2 1.0 CA B:SER204 4.2 40.8 1.0 O3A B:ADP801 4.4 35.3 1.0 O3B B:ADP801 4.5 36.2 1.0 PA B:ADP801 4.5 34.5 1.0 CG B:ASP456 4.5 46.7 1.0 O4 B:VO4802 4.6 35.5 1.0 O B:ASN202 4.6 36.0 1.0 O1A B:ADP801 4.6 31.8 1.0 O1 B:VO4802 4.7 36.1 1.0 O B:ILE457 4.8 43.5 1.0 ND2 B:ASN200 5.0 30.6 1.0 C B:SER203 5.0 40.6 1.0 ND2 B:ASN194 5.0 41.4 1.0 C B:LYS157 5.0 38.2 1.0

J.Menetrey, T.Isabet, V.Ropars, M.Mukherjea, O.Pylypenko, X.Liu, J.Perez, P.Vachette, H.L.Sweeney, A.M.Houdusse. Processive Steps in the Reverse Direction Require Uncoupling of the Lead Head Lever Arm of Myosin VI. Mol.Cell V. 48 75 2012.
ISSN: ISSN 1097-2765
PubMed: 22940248
DOI: 10.1016/J.MOLCEL.2012.07.034