Zinc in PDB 4yo9: HKU4 3CLPRO Unbound Structure

The structure of HKU4 3CLPRO Unbound Structure, PDB code: 4yo9 was solved by S.E.St John, A.Mesecar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.30 / 2.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.321, 80.321, 179.538, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 25.3

The binding sites of Zinc atom in the HKU4 3CLPRO Unbound Structure (pdb code 4yo9). 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 HKU4 3CLPRO Unbound Structure, PDB code: 4yo9:

Zinc binding site 1 out of 1 in the HKU4 3CLPRO Unbound Structure


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of HKU4 3CLPRO Unbound Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:75.4 occ:1.00 SG A:CYS148 2.2 72.4 1.0 NE2 A:HIS41 2.4 66.7 1.0 CD2 A:LEU27 3.1 63.5 1.0 CE1 A:HIS41 3.2 65.5 1.0 CB A:CYS148 3.3 49.2 1.0 CD2 A:HIS41 3.5 69.8 1.0 CD1 A:LEU27 3.9 67.2 1.0 CG A:LEU27 4.1 63.9 1.0 ND1 A:HIS41 4.4 70.0 1.0 CA A:CYS148 4.5 48.2 1.0 CG A:HIS41 4.6 69.0 1.0 CE A:MET25 4.6 79.3 1.0 N A:CYS148 4.7 44.1 1.0 CB A:LEU27 4.8 60.9 1.0

S.E.St John, S.Tomar, S.R.Stauffer, A.D.Mesecar. Targeting Zoonotic Viruses: Structure-Based Inhibition of the 3C-Like Protease From Bat Coronavirus HKU4-the Likely Reservoir Host to the Human Coronavirus That Causes Middle East Respiratory Syndrome (Mers). Bioorg.Med.Chem. V. 23 6036 2015.
ISSN: ESSN 1464-3391
PubMed: 26190463
DOI: 10.1016/J.BMC.2015.06.039