Magnesium in PDB 4pfp: Myosin VI Motor Domain in the Pi Release State (with Pi) Space Group P21

The structure of Myosin VI Motor Domain in the Pi Release State (with Pi) Space Group P21, PDB code: 4pfp was solved by T.Isabet, H.Benisty, P.Llinas, H.L.Sweeney, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.39 / 2.32
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	100.650, 94.890, 97.300, 90.00, 99.55, 90.00
R / Rfree (%)	18.9 / 22.9

The binding sites of Magnesium atom in the Myosin VI Motor Domain in the Pi Release State (with Pi) Space Group P21 (pdb code 4pfp). 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 Motor Domain in the Pi Release State (with Pi) Space Group P21, PDB code: 4pfp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Myosin VI Motor Domain in the Pi Release State (with Pi) Space Group P21


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Myosin VI Motor Domain in the Pi Release State (with Pi) Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:29.9 occ:1.00 O3 A:PO4804 1.9 18.1 0.5 O A:HOH915 1.9 31.0 1.0 OG A:SER204 2.1 36.1 1.0 O3B A:ADP802 2.1 24.1 1.0 OG1 A:THR158 2.1 32.0 1.0 O A:HOH914 2.3 29.4 1.0 CB A:THR158 3.2 32.7 1.0 CB A:SER204 3.2 32.8 1.0 PB A:ADP802 3.3 30.8 1.0 P A:PO4804 3.4 32.8 0.5 O1B A:ADP802 3.6 31.4 1.0 N A:SER204 3.9 31.3 1.0 O A:HOH1054 3.9 84.9 1.0 O2 A:PO4804 3.9 36.4 0.5 N A:THR158 4.0 29.7 1.0 O1A A:ADP802 4.1 34.8 1.0 O A:HOH1053 4.1 44.6 1.0 CA A:THR158 4.1 30.5 1.0 O1 A:PO4804 4.2 33.6 0.5 OD1 A:ASP456 4.2 41.8 1.0 CG2 A:THR158 4.2 27.0 1.0 CA A:SER204 4.2 31.6 1.0 OD2 A:ASP456 4.2 51.4 1.0 O3A A:ADP802 4.3 32.3 1.0 O A:HOH1014 4.4 38.9 1.0 O2B A:ADP802 4.4 33.3 1.0 O4 A:PO4804 4.5 29.8 0.5 CG A:ASP456 4.6 44.0 1.0 O2A A:ADP802 4.6 32.9 1.0 PA A:ADP802 4.7 31.8 1.0 ND2 A:ASN200 4.7 28.5 1.0 O A:ASN202 4.7 33.6 1.0 C A:SER203 4.9 33.1 1.0 CB A:LYS157 4.9 27.7 1.0

Magnesium binding site 2 out of 2 in the Myosin VI Motor Domain in the Pi Release State (with Pi) Space Group P21


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Myosin VI Motor Domain in the Pi Release State (with Pi) Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg803 b:31.6 occ:1.00 O1 C:PO4802 2.0 32.9 1.0 O C:HOH916 2.0 26.1 1.0 OG1 C:THR158 2.1 24.3 1.0 O1B C:ADP801 2.1 27.2 1.0 OG C:SER204 2.1 42.3 1.0 O C:HOH915 2.2 23.5 1.0 CB C:THR158 3.1 27.6 1.0 CB C:SER204 3.2 35.0 1.0 PB C:ADP801 3.4 27.0 1.0 P C:PO4802 3.4 36.2 1.0 O2B C:ADP801 3.7 25.8 1.0 N C:SER204 3.8 30.8 1.0 O4 C:PO4802 3.9 41.6 1.0 N C:THR158 4.0 26.5 1.0 CA C:THR158 4.1 25.4 1.0 OD1 C:ASP456 4.1 39.0 1.0 CG2 C:THR158 4.1 29.2 1.0 CA C:SER204 4.1 31.2 1.0 O2A C:ADP801 4.1 28.6 1.0 OD2 C:ASP456 4.2 45.1 1.0 O2 C:PO4802 4.3 37.9 1.0 O3A C:ADP801 4.3 26.9 1.0 O3B C:ADP801 4.4 26.4 1.0 O3 C:PO4802 4.5 38.6 1.0 CG C:ASP456 4.6 41.1 1.0 PA C:ADP801 4.7 27.0 1.0 O C:ASN202 4.7 29.6 1.0 ND2 C:ASN200 4.7 25.4 1.0 O1A C:ADP801 4.8 28.6 1.0 O C:HOH1128 4.9 52.6 1.0 C C:SER203 4.9 32.3 1.0 O C:HOH1046 4.9 43.9 1.0 CE C:LYS157 5.0 22.5 1.0

P.Llinas, T.Isabet, L.Song, V.Ropars, B.Zong, H.Benisty, S.Sirigu, C.Morris, C.Kikuti, D.Safer, H.L.Sweeney, A.Houdusse. How Actin Initiates the Motor Activity of Myosin Dev.Cell V. 33 1 2015.
ISSN: ISSN 1534-5807
DOI: 10.1016/J.BPJ.2014.11.160