Magnesium in PDB 3bz9: Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II

The structure of Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II, PDB code: 3bz9 was solved by J.S.Allingham, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	88.682, 146.317, 154.061, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 23.8

The structure of Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II also contains other interesting chemical elements:

Vanadium

(V)

1 atom

The binding sites of Magnesium atom in the Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II (pdb code 3bz9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II, PDB code: 3bz9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg997 b:15.0 occ:1.00 O1 A:VO4998 1.9 13.9 1.0 O A:HOH1333 2.0 11.0 1.0 OG1 A:THR186 2.0 17.1 1.0 OG A:SER237 2.0 12.9 1.0 O1B A:ADP1000 2.1 13.0 1.0 O A:HOH1235 2.2 13.7 1.0 CB A:SER237 3.0 13.0 1.0 CB A:THR186 3.1 15.4 1.0 PB A:ADP1000 3.3 13.6 1.0 V A:VO4998 3.4 15.3 1.0 O3B A:ADP1000 3.6 15.7 1.0 N A:SER237 3.7 13.3 1.0 N A:THR186 4.0 15.2 1.0 OD1 A:ASP454 4.0 19.6 1.0 CA A:SER237 4.0 12.3 1.0 CA A:THR186 4.1 16.2 1.0 CG2 A:THR186 4.1 15.6 1.0 OD2 A:ASP454 4.1 15.9 1.0 O2A A:ADP1000 4.2 17.4 1.0 O3A A:ADP1000 4.3 12.6 1.0 O3 A:VO4998 4.3 13.8 1.0 O2B A:ADP1000 4.4 15.1 1.0 O4 A:VO4998 4.5 13.3 1.0 CG A:ASP454 4.5 17.1 1.0 O A:HOH1042 4.5 23.1 1.0 PA A:ADP1000 4.6 15.6 1.0 O A:ASN235 4.6 14.9 1.0 O A:ILE455 4.7 14.9 1.0 O2 A:VO4998 4.8 14.6 1.0 ND2 A:ASN227 4.8 13.4 1.0 O1A A:ADP1000 4.9 16.7 1.0 C A:SER236 4.9 13.3 1.0 ND2 A:ASN233 4.9 17.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg999 b:34.1 occ:0.50 O A:HOH1360 2.3 45.4 1.0 O A:HOH1107 2.3 36.0 1.0 OE2 A:GLU567 3.4 41.5 1.0 OE1 A:GLU567 3.5 37.2 1.0 O A:HOH1410 3.6 41.0 1.0 CD A:GLU567 3.8 34.6 1.0 O A:LYS462 4.6 24.8 1.0 CE1 A:PHE563 4.6 26.5 1.0 O A:HOH1296 4.6 28.1 1.0 O A:HOH1297 4.7 35.7 1.0

C.Lucas-Lopez, J.S.Allingham, T.Lebl, C.P.Lawson, R.Brenk, J.R.Sellers, I.Rayment, N.J.Westwood. The Small Molecule Tool (S)-(-)-Blebbistatin: Novel Insights of Relevance to Myosin Inhibitor Design. Org.Biomol.Chem. V. 6 2076 2008.
ISSN: ISSN 1477-0520
PubMed: 18528569
DOI: 10.1039/B801223G