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Vanadium 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:

Magnesium (Mg) 2 atoms

Vanadium Binding Sites:

The binding sites of Vanadium 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 Vanadium atom.
In total only one binding site of Vanadium was determined in the Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II, PDB code: 3bz8:

Vanadium binding site 1 out of 1 in 3bz8

Go back to Vanadium Binding Sites List in 3bz8
Vanadium binding site 1 out of 1 in the Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V 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:V998

b:20.1
occ:1.00
V A:VO4998 0.0 20.1 1.0
O1 A:VO4998 1.7 24.6 1.0
O3 A:VO4998 1.7 22.8 1.0
O2 A:VO4998 1.7 17.8 1.0
O4 A:VO4998 2.1 22.5 1.0
O3B A:ADP1000 2.1 24.9 1.0
PB A:ADP1000 3.3 20.2 1.0
MG A:MG997 3.5 23.6 1.0
O1B A:ADP1000 3.6 23.5 1.0
ND2 A:ASN233 3.8 20.6 1.0
OG A:SER236 3.8 16.5 1.0
O A:HOH1419 3.9 18.6 1.0
N A:GLY182 3.9 20.3 1.0
OG A:SER181 3.9 17.7 1.0
N A:SER237 3.9 21.1 1.0
CA A:SER181 4.0 17.8 1.0
O A:HOH1053 4.1 18.6 1.0
NZ A:LYS185 4.1 21.6 1.0
N A:GLY457 4.1 17.4 1.0
O2B A:ADP1000 4.1 17.4 1.0
O A:HOH1264 4.3 17.9 1.0
CB A:SER181 4.3 16.1 1.0
CA A:SER236 4.3 19.4 1.0
O3A A:ADP1000 4.4 22.6 1.0
O A:SER237 4.4 21.7 1.0
C A:SER181 4.5 19.4 1.0
CB A:SER237 4.5 22.9 1.0
CE A:LYS185 4.5 17.8 1.0
CB A:SER236 4.6 18.9 1.0
OG A:SER237 4.6 23.2 1.0
C A:SER236 4.7 19.8 1.0
CA A:SER456 4.7 20.3 1.0
CA A:SER237 4.7 21.4 1.0
CG A:ASN233 4.8 20.6 1.0
CA A:GLY457 4.8 17.9 1.0
O A:ILE455 4.9 23.3 1.0
C A:SER456 4.9 18.1 1.0
CB A:ASN233 5.0 22.4 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: Thu Oct 29 07:04:58 2020

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