Zinc in PDB 5ta8: Crystal Structure of PLK1 in Complex with A Novel 5,6- Dihydroimidazolo[1,5-F]Pteridine Inhibitor

Enzymatic activity of Crystal Structure of PLK1 in Complex with A Novel 5,6- Dihydroimidazolo[1,5-F]Pteridine Inhibitor

All present enzymatic activity of Crystal Structure of PLK1 in Complex with A Novel 5,6- Dihydroimidazolo[1,5-F]Pteridine Inhibitor:
2.7.11.21;

Protein crystallography data

The structure of Crystal Structure of PLK1 in Complex with A Novel 5,6- Dihydroimidazolo[1,5-F]Pteridine Inhibitor, PDB code: 5ta8 was solved by R.J.Skene, D.J.Hosfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.31 / 2.60
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 67.364, 67.364, 151.918, 90.00, 90.00, 120.00
R / Rfree (%) 18.2 / 24.7

Other elements in 5ta8:

The structure of Crystal Structure of PLK1 in Complex with A Novel 5,6- Dihydroimidazolo[1,5-F]Pteridine Inhibitor also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of PLK1 in Complex with A Novel 5,6- Dihydroimidazolo[1,5-F]Pteridine Inhibitor (pdb code 5ta8). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of PLK1 in Complex with A Novel 5,6- Dihydroimidazolo[1,5-F]Pteridine Inhibitor, PDB code: 5ta8:

Zinc binding site 1 out of 1 in 5ta8

Go back to Zinc Binding Sites List in 5ta8
Zinc binding site 1 out of 1 in the Crystal Structure of PLK1 in Complex with A Novel 5,6- Dihydroimidazolo[1,5-F]Pteridine Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of PLK1 in Complex with A Novel 5,6- Dihydroimidazolo[1,5-F]Pteridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:0.8
occ:1.00
 SG A:CYS212 2.0 0.4 1.0
CB A:CYS212 2.9 0.8 1.0
NE2 A:HIS93 3.0 0.3 1.0
O A:HOH505 3.1 71.6 1.0
CA A:CYS212 3.2 0.4 1.0
CE1 A:HIS93 3.5 0.9 1.0
C A:CYS212 4.0 0.7 1.0
CD2 A:HIS93 4.2 0.4 1.0
N A:GLY213 4.5 0.3 1.0
N A:CYS212 4.5 0.9 1.0
O A:CYS212 4.5 0.6 1.0
NZ A:LYS97 4.6 0.8 1.0
ND1 A:HIS93 4.8 0.3 1.0
O A:LEU211 5.0 0.2 1.0

Reference:

A.Kiryanov, S.Natala, B.Jones, C.Mcbride, V.Feher, B.Lam, Y.Liu, K.Honda, N.Uchiyama, T.Kawamoto, Y.Hikichi, L.Zhang, D.Hosfield, R.Skene, H.Zou, J.Stafford, X.Cao, T.Ichikawa. Structure-Based Design and Sar Development of 5,6-Dihydroimidazolo[1,5-F]Pteridine Derivatives As Novel Polo-Like Kinase-1 Inhibitors. Bioorg. Med. Chem. Lett. V. 27 1311 2017.
ISSN: ESSN 1464-3405
PubMed: 28169164
DOI: 10.1016/J.BMCL.2016.10.009
Page generated: Wed Dec 16 10:55:22 2020

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