Magnesium in PDB 2jhr: Crystal Structure of Myosin-2 Motor Domain in Complex with Adp- Metavanadate and Pentabromopseudilin

The structure of Crystal Structure of Myosin-2 Motor Domain in Complex with Adp- Metavanadate and Pentabromopseudilin, PDB code: 2jhr was solved by R.Fedorov, M.Boehl, G.Tsiavaliaris, F.K.Hartmann, P.Baruch, B.Brenner, R.Martin, H.J.Knoelker, H.O.Gutzeit, D.J.Manstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	89.758, 150.464, 154.550, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 26.5

The structure of Crystal Structure of Myosin-2 Motor Domain in Complex with Adp- Metavanadate and Pentabromopseudilin also contains other interesting chemical elements:

Bromine	(Br)	5 atoms
Vanadium	(V)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of Myosin-2 Motor Domain in Complex with Adp- Metavanadate and Pentabromopseudilin (pdb code 2jhr). 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 Motor Domain in Complex with Adp- Metavanadate and Pentabromopseudilin, PDB code: 2jhr:

Magnesium binding site 1 out of 1 in the Crystal Structure of Myosin-2 Motor Domain in Complex with Adp- Metavanadate and Pentabromopseudilin


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 Motor Domain in Complex with Adp- Metavanadate and Pentabromopseudilin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1779 b:31.2 occ:1.00 OG1 A:THR186 2.4 18.3 1.0 O1B A:AD91778 2.5 27.7 1.0 O A:HOH2170 2.5 9.8 1.0 O3B A:AD91778 2.9 29.4 1.0 OG A:SER237 2.9 34.1 1.0 O2G A:AD91778 3.1 36.7 1.0 PB A:AD91778 3.3 28.6 1.0 CB A:SER237 3.3 32.2 1.0 O A:ILE455 3.4 32.8 1.0 VG A:AD91778 3.6 21.2 1.0 OD1 A:ASP454 3.6 10.5 1.0 CB A:THR186 3.7 13.8 1.0 N A:THR186 4.0 8.3 1.0 O1G A:AD91778 4.2 13.1 1.0 O2B A:AD91778 4.3 17.1 1.0 CA A:THR186 4.3 11.8 1.0 CE A:LYS185 4.3 23.7 1.0 N A:SER237 4.4 28.8 1.0 CB A:LYS185 4.4 16.6 1.0 CG A:ASP454 4.4 20.6 1.0 OD2 A:ASP454 4.5 37.9 1.0 O3A A:AD91778 4.5 21.8 1.0 CA A:SER237 4.5 26.8 1.0 C A:ILE455 4.5 18.6 1.0 O2A A:AD91778 4.7 25.0 1.0 CG2 A:THR186 4.8 4.5 1.0 O A:HOH2204 4.9 17.1 1.0 C A:LYS185 4.9 8.1 1.0 NZ A:LYS185 4.9 25.6 1.0

R.Fedorov, M.Bohl, G.Tsiavaliaris, F.K.Hartmann, M.H.Taft, P.Baruch, B.Brenner, R.Martin, H.Knolker, H.O.Gutzeit, D.J.Manstein. The Mechanism of Pentabromopseudilin Inhibition of Myosin Motor Activity. Nat.Struct.Mol.Biol. V. 16 80 2009.
ISSN: ISSN 1545-9993
PubMed: 19122661
DOI: 10.1038/NSMB.1542