Magnesium in PDB 3bz7: 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: 3bz7 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)	35.51 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	88.219, 146.000, 153.086, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.3

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 3bz7). 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: 3bz7:
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:13.2 occ:1.00 O A:HOH1447 2.0 13.6 1.0 O1 A:VO4998 2.0 15.1 1.0 OG1 A:THR186 2.0 12.9 1.0 O1B A:ADP1000 2.1 12.7 1.0 O A:HOH1273 2.1 12.7 1.0 OG A:SER237 2.2 11.2 1.0 CB A:THR186 3.1 12.7 1.0 CB A:SER237 3.1 12.2 1.0 PB A:ADP1000 3.3 13.1 1.0 V A:VO4998 3.5 12.1 1.0 O3B A:ADP1000 3.6 12.7 1.0 N A:SER237 3.7 13.4 1.0 N A:THR186 4.0 12.4 1.0 OD1 A:ASP454 4.0 18.6 1.0 CA A:SER237 4.1 12.5 1.0 CG2 A:THR186 4.1 15.8 1.0 O2A A:ADP1000 4.1 16.1 1.0 CA A:THR186 4.1 13.0 1.0 OD2 A:ASP454 4.2 17.5 1.0 O3A A:ADP1000 4.2 12.2 1.0 O3 A:VO4998 4.4 13.9 1.0 O2B A:ADP1000 4.4 12.9 1.0 O A:HOH1042 4.5 23.1 1.0 CG A:ASP454 4.5 16.6 1.0 O4 A:VO4998 4.6 13.8 1.0 PA A:ADP1000 4.6 13.6 1.0 O A:ASN235 4.6 12.5 1.0 O A:ILE455 4.7 13.7 1.0 O1A A:ADP1000 4.8 12.8 1.0 O2 A:VO4998 4.8 12.8 1.0 C A:SER236 4.8 12.7 1.0 ND2 A:ASN233 4.9 11.8 1.0 ND2 A:ASN227 4.9 13.3 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:23.0 occ:0.50 O A:HOH1113 1.7 29.1 1.0 O A:HOH1112 2.3 28.9 1.0 O A:HOH1535 2.3 34.0 1.0 OE2 A:GLU567 3.5 31.7 1.0 OE1 A:GLU567 3.9 29.7 1.0 CD A:GLU567 4.1 27.5 1.0 O A:LYS462 4.5 18.9 1.0 CE1 A:PHE563 4.7 15.4 1.0 O A:HOH1371 4.9 29.1 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