Magnesium in PDB 2xo8: Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin

The structure of Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin, PDB code: 2xo8 was solved by M.Preller, K.Chinthalapudi, R.Martin, H.J.Knoelker, D.J.Manstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.70 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	88.340, 146.383, 152.798, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 25.4

The structure of Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Bromine	(Br)	3 atoms
Vanadium	(V)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin (pdb code 2xo8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin, PDB code: 2xo8:

Magnesium binding site 1 out of 1 in the Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Myosin-2 in Complex with Tribromodichloropseudilin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1780 b:37.8 occ:1.00 O A:HOH2433 1.6 23.5 1.0 O A:HOH2435 1.8 30.5 1.0 O3G A:AD91779 1.8 24.8 1.0 OG1 A:THR186 2.1 31.2 1.0 OG A:SER237 2.1 25.5 1.0 O2B A:AD91779 2.2 25.9 1.0 CB A:THR186 2.9 28.9 1.0 CB A:SER237 3.0 25.9 1.0 PB A:AD91779 3.5 24.9 1.0 N A:SER237 3.6 27.6 1.0 VG A:AD91779 3.6 25.0 1.0 CA A:SER237 3.9 28.6 1.0 CG2 A:THR186 3.9 28.9 1.0 O3B A:AD91779 4.0 28.9 1.0 O2A A:AD91779 4.0 31.3 1.0 CA A:THR186 4.0 30.2 1.0 N A:THR186 4.0 32.1 1.0 OD1 A:ASP454 4.1 28.9 1.0 O3A A:AD91779 4.3 30.0 1.0 O A:HOH2161 4.3 30.9 1.0 OD2 A:ASP454 4.3 28.0 1.0 O A:ASN235 4.5 30.4 1.0 PA A:AD91779 4.6 26.9 1.0 O1A A:AD91779 4.6 29.7 1.0 CG A:ASP454 4.6 27.8 1.0 O1B A:AD91779 4.6 25.7 1.0 C A:SER236 4.7 29.0 1.0 OD1 A:ASN227 4.7 34.6 1.0 ND2 A:ASN233 4.9 30.6 1.0 O A:ILE455 4.9 25.6 1.0 O2G A:AD91779 4.9 24.3 1.0

M.Preller, K.Chinthalapudi, R.Martin, H.Knolker, D.J.Manstein. Inhibition of Myosin Atpase Activity By Halogenated Pseudilins: A Structure-Activity Study. J.Med.Chem. V. 54 3675 2011.
ISSN: ISSN 0022-2623
PubMed: 21534527
DOI: 10.1021/JM200259F