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Magnesium in PDB 3bz8: Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II

Protein crystallography data

The structure of Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II, PDB code: 3bz8 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 / 2.20
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 88.013, 147.772, 153.390, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 24.5

Other elements in 3bz8:

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

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II (pdb code 3bz8). 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: 3bz8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3bz8

Go back to Magnesium Binding Sites List in 3bz8
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:23.6
occ:1.00
O A:HOH1419 2.0 18.6 1.0
OG1 A:THR186 2.0 29.7 1.0
O1 A:VO4998 2.1 24.6 1.0
OG A:SER237 2.1 23.2 1.0
O A:HOH1264 2.2 17.9 1.0
O1B A:ADP1000 2.2 23.5 1.0
CB A:THR186 2.9 26.0 1.0
CB A:SER237 3.0 22.9 1.0
PB A:ADP1000 3.4 20.2 1.0
V A:VO4998 3.5 20.1 1.0
O3B A:ADP1000 3.7 24.9 1.0
N A:SER237 3.7 21.1 1.0
CG2 A:THR186 3.9 26.7 1.0
OD1 A:ASP454 3.9 27.7 1.0
CA A:SER237 4.0 21.4 1.0
CA A:THR186 4.1 26.1 1.0
N A:THR186 4.1 23.3 1.0
O3A A:ADP1000 4.2 22.6 1.0
O2A A:ADP1000 4.2 25.2 1.0
O A:HOH1043 4.2 36.2 1.0
OD2 A:ASP454 4.3 28.0 1.0
O3 A:VO4998 4.4 22.8 1.0
O2B A:ADP1000 4.5 17.4 1.0
O A:ASN235 4.5 21.1 1.0
O4 A:VO4998 4.6 22.5 1.0
CG A:ASP454 4.6 25.3 1.0
PA A:ADP1000 4.6 21.7 1.0
O A:ILE455 4.7 23.3 1.0
O1A A:ADP1000 4.8 24.0 1.0
O2 A:VO4998 4.8 17.8 1.0
C A:SER236 4.9 19.8 1.0
ND2 A:ASN227 4.9 26.4 1.0
ND2 A:ASN233 4.9 20.6 1.0

Magnesium binding site 2 out of 2 in 3bz8

Go back to Magnesium Binding Sites List in 3bz8
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:32.1
occ:0.50
O A:HOH1114 1.5 44.9 1.0
O A:HOH1493 2.3 47.0 1.0
O A:HOH1113 2.5 22.0 1.0
OE2 A:GLU567 3.3 38.9 1.0
OE1 A:GLU567 3.6 32.7 1.0
CD A:GLU567 3.9 30.7 1.0
CE1 A:PHE563 4.5 14.3 1.0
O A:LYS462 4.5 21.3 1.0
O A:HOH1352 4.8 31.8 1.0

Reference:

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
Page generated: Mon Dec 14 07:56:32 2020

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