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Zinc in PDB 3thb: Structure of PLK1 Kinase Domain in Complex with A Benzolactam-Derived Inhibitor

Enzymatic activity of Structure of PLK1 Kinase Domain in Complex with A Benzolactam-Derived Inhibitor

All present enzymatic activity of Structure of PLK1 Kinase Domain in Complex with A Benzolactam-Derived Inhibitor:
2.7.11.21;

Protein crystallography data

The structure of Structure of PLK1 Kinase Domain in Complex with A Benzolactam-Derived Inhibitor, PDB code: 3thb was solved by M.D.Sintchak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.50
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 67.668, 67.668, 154.684, 90.00, 90.00, 120.00
R / Rfree (%) 25 / 28.6

Other elements in 3thb:

The structure of Structure of PLK1 Kinase Domain in Complex with A Benzolactam-Derived Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of PLK1 Kinase Domain in Complex with A Benzolactam-Derived Inhibitor (pdb code 3thb). 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 Structure of PLK1 Kinase Domain in Complex with A Benzolactam-Derived Inhibitor, PDB code: 3thb:

Zinc binding site 1 out of 1 in 3thb

Go back to Zinc Binding Sites List in 3thb
Zinc binding site 1 out of 1 in the Structure of PLK1 Kinase Domain in Complex with A Benzolactam-Derived Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of PLK1 Kinase Domain in Complex with A Benzolactam-Derived Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn502

b:96.6
occ:1.00
NE2 A:HIS93 2.0 75.4 1.0
SG A:CYS212 2.4 78.7 1.0
CD2 A:HIS93 2.8 78.1 1.0
CE1 A:HIS93 3.1 77.2 1.0
CB A:CYS212 3.6 72.0 1.0
CG A:HIS93 4.0 74.8 1.0
ND1 A:HIS93 4.1 77.7 1.0
NZ A:LYS97 4.2 81.7 1.0
CA A:CYS212 4.7 71.3 1.0
CE A:LYS97 4.7 77.7 1.0

Reference:

M.O.Duffey, T.J.Vos, R.Adams, J.Alley, J.Anthony, C.Barrett, I.Bharathan, D.Bowman, N.J.Bump, R.Chau, C.Cullis, D.L.Driscoll, A.Elder, N.Forsyth, J.Frazer, J.Guo, L.Guo, M.L.Hyer, D.Janowick, B.Kulkarni, S.J.Lai, K.Lasky, G.Li, J.Li, D.Liao, J.Little, B.Peng, M.G.Qian, D.J.Reynolds, M.Rezaei, M.P.Scott, T.B.Sells, V.Shinde, Q.J.Shi, M.D.Sintchak, F.Soucy, K.T.Sprott, S.G.Stroud, M.Nestor, I.Visiers, G.Weatherhead, Y.Ye, N.D'amore. Discovery of A Potent and Orally Bioavailable Benzolactam-Derived Inhibitor of Polo-Like Kinase 1 (MLN0905). J.Med.Chem. V. 55 197 2012.
ISSN: ISSN 0022-2623
PubMed: 22070629
DOI: 10.1021/JM2011172
Page generated: Sat Oct 26 16:34:50 2024

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