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Zinc in PDB 5ta6: 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: 5ta6 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) 45.98 / 2.50
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 66.303, 66.303, 153.115, 90.00, 90.00, 120.00
R / Rfree (%) 17.9 / 26

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 5ta6). 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: 5ta6:

Zinc binding site 1 out of 1 in 5ta6

Go back to Zinc Binding Sites List in 5ta6
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:Zn1001

b:51.4
occ:1.00
NE2 A:HIS93 2.2 50.8 1.0
SG A:CYS212 2.2 51.3 1.0
O A:HOH1188 2.4 30.4 1.0
CE1 A:HIS93 3.1 50.1 1.0
CB A:CYS212 3.1 45.8 1.0
CD2 A:HIS93 3.2 50.4 1.0
CE A:LYS97 4.0 54.9 1.0
NZ A:LYS97 4.2 61.6 1.0
ND1 A:HIS93 4.2 50.4 1.0
CG A:HIS93 4.3 49.2 1.0
CA A:CYS212 4.4 44.3 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: Mon Oct 28 08:22:59 2024

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