Zinc in PDB 5j4y: The Crystal Structure of N-(4-(2-(Thiazolo[5,4-C]Pyridin-2-Yl) Phenoxy)Phenyl)Acetamide Bound to Jcv Helicase

The structure of The Crystal Structure of N-(4-(2-(Thiazolo[5,4-C]Pyridin-2-Yl) Phenoxy)Phenyl)Acetamide Bound to Jcv Helicase, PDB code: 5j4y was solved by E.Ter Haar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.62 / 2.59
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	109.250, 109.250, 66.670, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 23.8

The binding sites of Zinc atom in the The Crystal Structure of N-(4-(2-(Thiazolo[5,4-C]Pyridin-2-Yl) Phenoxy)Phenyl)Acetamide Bound to Jcv Helicase (pdb code 5j4y). 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 The Crystal Structure of N-(4-(2-(Thiazolo[5,4-C]Pyridin-2-Yl) Phenoxy)Phenyl)Acetamide Bound to Jcv Helicase, PDB code: 5j4y:

Zinc binding site 1 out of 1 in the The Crystal Structure of N-(4-(2-(Thiazolo[5,4-C]Pyridin-2-Yl) Phenoxy)Phenyl)Acetamide Bound to Jcv Helicase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of N-(4-(2-(Thiazolo[5,4-C]Pyridin-2-Yl) Phenoxy)Phenyl)Acetamide Bound to Jcv Helicase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:0.4 occ:1.00 SG A:CYS306 2.3 0.0 1.0 ND1 A:HIS318 2.3 94.2 1.0 NE2 A:HIS314 2.5 0.2 1.0 CE1 A:HIS318 2.7 93.5 1.0 CB A:CYS306 2.7 0.1 1.0 CD2 A:HIS314 2.9 0.0 1.0 SG A:CYS303 3.1 0.1 1.0 CG A:HIS318 3.2 92.2 1.0 CA A:CYS306 3.2 0.5 1.0 N A:CYS306 3.4 0.7 1.0 NE2 A:HIS318 3.6 93.8 1.0 CB A:CYS303 3.7 0.5 1.0 CE1 A:HIS314 3.8 0.1 1.0 CD2 A:HIS318 3.8 94.1 1.0 CB A:HIS318 3.9 88.8 1.0 CG A:HIS314 4.1 0.5 1.0 C A:ALA305 4.2 0.2 1.0 ND1 A:HIS314 4.6 0.4 1.0 CA A:PRO300 4.7 0.8 1.0 O A:ALA305 4.7 0.1 1.0 O A:HIS314 4.7 0.1 1.0 C A:CYS306 4.7 0.1 1.0 CB A:PRO300 4.9 0.4 1.0 CA A:PHE315 4.9 0.5 1.0 CB A:ALA305 4.9 0.6 1.0 C A:HIS314 5.0 0.8 1.0 CA A:ALA305 5.0 0.0 1.0

D.Bonafoux, S.Nanthakumar, U.K.Bandarage, C.Memmott, D.Lowe, A.M.Aronov, G.R.Bhisetti, K.C.Bonanno, J.Coll, J.Leeman, C.A.Lepre, F.Lu, E.Perola, R.Rijnbrand, W.P.Taylor, D.Wilson, Y.Zhou, J.Zwahlen, E.Ter Haar. Fragment-Based Discovery of Dual Jc Virus and Bk Virus Helicase Inhibitors. J.Med.Chem. V. 59 7138 2016.
ISSN: ISSN 0022-2623
PubMed: 27385654
DOI: 10.1021/ACS.JMEDCHEM.6B00486