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Zinc in PDB 3kb7: Crystal Structure of Polo-Like Kinase 1 in Complex with A Pyrazoloquinazoline Inhibitor

Enzymatic activity of Crystal Structure of Polo-Like Kinase 1 in Complex with A Pyrazoloquinazoline Inhibitor

All present enzymatic activity of Crystal Structure of Polo-Like Kinase 1 in Complex with A Pyrazoloquinazoline Inhibitor:
2.7.11.21;

Protein crystallography data

The structure of Crystal Structure of Polo-Like Kinase 1 in Complex with A Pyrazoloquinazoline Inhibitor, PDB code: 3kb7 was solved by R.T.Bossi, J.A.Bertrand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 58.32 / 2.50
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 67.352, 67.352, 154.109, 90.00, 90.00, 120.00
R / Rfree (%) 20.8 / 30.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Polo-Like Kinase 1 in Complex with A Pyrazoloquinazoline Inhibitor (pdb code 3kb7). 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 Polo-Like Kinase 1 in Complex with A Pyrazoloquinazoline Inhibitor, PDB code: 3kb7:

Zinc binding site 1 out of 1 in 3kb7

Go back to Zinc Binding Sites List in 3kb7
Zinc binding site 1 out of 1 in the Crystal Structure of Polo-Like Kinase 1 in Complex with A Pyrazoloquinazoline 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 Polo-Like Kinase 1 in Complex with A Pyrazoloquinazoline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn346

b:32.2
occ:1.00
O1 A:TLA400 1.9 44.9 1.0
NE2 A:HIS93 2.0 27.8 1.0
SG A:CYS212 2.5 28.2 1.0
C1 A:TLA400 2.6 45.8 1.0
CE1 A:HIS93 2.8 28.1 1.0
O11 A:TLA400 2.8 43.6 1.0
CD2 A:HIS93 3.1 27.7 1.0
CB A:CYS212 3.3 26.9 1.0
ND1 A:HIS93 3.9 27.9 1.0
C2 A:TLA400 4.0 47.1 1.0
CG A:HIS93 4.1 28.0 1.0
CE A:LYS97 4.2 30.0 1.0
NZ A:LYS97 4.3 31.5 1.0
C3 A:TLA400 4.5 48.6 1.0
CA A:CYS212 4.7 27.3 1.0
O3 A:TLA400 5.0 49.6 1.0

Reference:

I.Beria, D.Ballinari, J.A.Bertrand, D.Borghi, R.T.Bossi, M.G.Brasca, P.Cappella, M.Caruso, W.Ceccarelli, A.Ciavolella, C.Cristiani, V.Croci, A.De Ponti, G.Fachin, R.D.Ferguson, J.Lansen, J.K.Moll, E.Pesenti, H.Posteri, R.Perego, M.Rocchetti, P.Storici, D.Volpi, B.Valsasina. Identification of 4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline Derivatives As A New Class of Orally and Selective Polo-Like Kinase 1 Inhibitors J.Med.Chem. V. 53 3532 2010.
ISSN: ISSN 0022-2623
PubMed: 20397705
DOI: 10.1021/JM901713N
Page generated: Wed Dec 16 04:29:49 2020

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