Zinc in PDB 2yac: Crystal Structure of Polo-Like Kinase 1 in Complex with Nms-P937

All present enzymatic activity of Crystal Structure of Polo-Like Kinase 1 in Complex with Nms-P937:
2.7.11.21;

The structure of Crystal Structure of Polo-Like Kinase 1 in Complex with Nms-P937, PDB code: 2yac was solved by J.A.Bertrand, R.T.Bossi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.84 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.595, 66.595, 154.035, 90.00, 90.00, 120.00
R / Rfree (%)	25.4 / 29

The structure of Crystal Structure of Polo-Like Kinase 1 in Complex with Nms-P937 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Zinc atom in the Crystal Structure of Polo-Like Kinase 1 in Complex with Nms-P937 (pdb code 2yac). 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 Nms-P937, PDB code: 2yac:

Zinc binding site 1 out of 1 in the Crystal Structure of Polo-Like Kinase 1 in Complex with Nms-P937


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 Nms-P937 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:33.7 occ:1.00 O4 A:TLA503 2.0 46.8 1.0 NE2 A:HIS93 2.2 33.0 1.0 SG A:CYS212 2.3 36.9 1.0 CE1 A:HIS93 3.1 33.1 1.0 CD2 A:HIS93 3.1 32.0 1.0 C4 A:TLA503 3.2 50.7 1.0 CB A:CYS212 3.3 32.5 1.0 NZ A:LYS97 4.0 36.0 1.0 O41 A:TLA503 4.1 50.5 1.0 ND1 A:HIS93 4.2 34.1 1.0 CG A:HIS93 4.2 32.0 1.0 C3 A:TLA503 4.3 52.0 1.0 CA A:CYS212 4.5 34.5 1.0 CE A:LYS97 4.8 32.4 1.0 C2 A:TLA503 4.9 54.6 1.0

I.Beria, R.T.Bossi, M.G.Brasca, M.Caruso, W.Ceccarelli, G.Fachin, M.Fasolini, B.Forte, F.Fiorentini, E.Pesenti, D.Pezzetta, H.Posteri, A.Scolaro, S.R.Depaolini, B.Valsasina. Nms-P937, A 4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline Derivative As Potent and Selective Polo-Like Kinase 1 Inhibitor. Bioorg.Med.Chem.Lett. V. 21 2969 2011.
ISSN: ISSN 0960-894X
PubMed: 21470862
DOI: 10.1016/J.BMCL.2011.03.054