Chlorine in PDB 5zuv: Crystal Structure of the Human Coronavirus 229E HR1 Motif in Complex with Pan-Covs Inhibitor EK1

The structure of Crystal Structure of the Human Coronavirus 229E HR1 Motif in Complex with Pan-Covs Inhibitor EK1, PDB code: 5zuv was solved by L.Yan, B.Yang, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.39 / 2.21
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.515, 45.548, 94.737, 90.00, 96.33, 90.00
R / Rfree (%)	20.2 / 24.8

The binding sites of Chlorine atom in the Crystal Structure of the Human Coronavirus 229E HR1 Motif in Complex with Pan-Covs Inhibitor EK1 (pdb code 5zuv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Human Coronavirus 229E HR1 Motif in Complex with Pan-Covs Inhibitor EK1, PDB code: 5zuv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Human Coronavirus 229E HR1 Motif in Complex with Pan-Covs Inhibitor EK1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Human Coronavirus 229E HR1 Motif in Complex with Pan-Covs Inhibitor EK1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:81.1 occ:1.00 OG1 A:THR819 3.9 27.4 1.0 OG1 B:THR819 4.1 26.2 1.0 OG1 C:THR819 4.2 25.4 1.0 CB A:THR819 4.7 24.9 1.0 CB A:ALA815 4.8 26.6 1.0 CG2 A:THR819 4.8 24.6 1.0 CB B:THR819 4.9 27.2 1.0 O A:ALA815 4.9 31.2 1.0 CB C:THR819 5.0 24.8 1.0 CG2 B:THR819 5.0 25.6 1.0 C A:ALA815 5.0 29.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Human Coronavirus 229E HR1 Motif in Complex with Pan-Covs Inhibitor EK1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Human Coronavirus 229E HR1 Motif in Complex with Pan-Covs Inhibitor EK1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1001 b:75.0 occ:1.00 CE1 B:PHE798 3.9 50.1 1.0 CD1 B:PHE798 4.0 52.9 1.0 CD1 C:PHE798 4.0 41.4 1.0 CD1 A:PHE798 4.1 55.7 1.0 CE1 C:PHE798 4.1 40.1 1.0 CE1 A:PHE798 4.1 57.5 1.0 CD1 B:ILE805 4.3 37.6 1.0 SD B:MET802 4.4 48.8 1.0 CD1 A:ILE805 4.5 32.9 1.0 CD1 C:ILE805 4.5 33.9 1.0 SD A:MET802 4.6 49.6 1.0 SD C:MET802 4.6 47.6 1.0 CB C:ALA801 4.9 37.5 1.0 CB B:ALA801 4.9 43.1 1.0

S.Xia, L.Yan, W.Xu, A.S.Agrawal, A.Algaissi, C.K.Tseng, Q.Wang, L.Du, W.Tan, I.A.Wilson, S.Jiang, B.Yang, L.Lu. A Pan-Coronavirus Fusion Inhibitor Targeting the HR1 Domain of Human Coronavirus Spike. Sci Adv V. 5 V4580 2019.
ISSN: ESSN 2375-2548
PubMed: 30989115
DOI: 10.1126/SCIADV.AAV4580