Chlorine in PDB 5gj4: Structure of NS2B-NS3 Protease From Zika Virus Caught After Self- Cleavage

The structure of Structure of NS2B-NS3 Protease From Zika Virus Caught After Self- Cleavage, PDB code: 5gj4 was solved by W.W.Phoo, Y.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.50 / 1.84
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	88.790, 88.790, 138.100, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 19.5

The binding sites of Chlorine atom in the Structure of NS2B-NS3 Protease From Zika Virus Caught After Self- Cleavage (pdb code 5gj4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of NS2B-NS3 Protease From Zika Virus Caught After Self- Cleavage, PDB code: 5gj4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of NS2B-NS3 Protease From Zika Virus Caught After Self- Cleavage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of NS2B-NS3 Protease From Zika Virus Caught After Self- Cleavage within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2001 b:19.9 occ:1.00 O E:HOH219 3.0 23.2 1.0 O A:HOH225 3.1 30.1 1.0 N B:ALA106 3.1 19.5 1.0 N F:ALA106 3.2 21.5 1.0 O F:HOH263 3.3 28.2 1.0 CB F:ALA106 3.6 19.7 1.0 CB B:ARG105 3.6 19.7 1.0 CA B:ARG105 3.7 17.6 1.0 CB B:ALA106 3.9 19.6 1.0 C B:ARG105 3.9 18.5 1.0 CG F:ARG105 3.9 21.1 1.0 CA F:ARG105 4.0 19.4 1.0 CA F:ALA106 4.0 19.2 1.0 C F:ARG105 4.1 20.2 1.0 CA B:ALA106 4.1 18.3 1.0 NH2 F:ARG24 4.3 20.4 1.0 CB F:ARG105 4.3 19.8 1.0 NH2 B:ARG24 4.4 15.5 1.0 O B:ALA106 4.6 19.6 1.0 O F:ALA106 4.7 20.3 1.0 CG B:ARG105 4.7 18.6 1.0 O E:ALA56 4.7 18.8 1.0 C F:ALA106 4.9 19.6 1.0 NE B:ARG105 4.9 20.8 1.0 C B:ALA106 4.9 18.6 1.0 CD F:ARG105 4.9 21.8 1.0 O A:ALA56 4.9 19.8 1.0

Chlorine binding site 2 out of 2 in the Structure of NS2B-NS3 Protease From Zika Virus Caught After Self- Cleavage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of NS2B-NS3 Protease From Zika Virus Caught After Self- Cleavage within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:19.8 occ:1.00 O C:HOH213 3.0 20.3 1.0 N D:ALA106 3.1 22.7 1.0 N H:ALA106 3.2 22.0 1.0 O D:HOH365 3.3 28.0 1.0 CG D:ARG105 3.7 21.5 1.0 CB H:ALA106 3.7 19.9 1.0 CB D:ALA106 3.8 18.5 1.0 CG H:ARG105 3.8 22.9 1.0 CA D:ARG105 3.9 19.1 1.0 CA H:ARG105 4.0 20.5 1.0 C D:ARG105 4.0 21.0 1.0 CA D:ALA106 4.0 19.8 1.0 CA H:ALA106 4.0 19.1 1.0 C H:ARG105 4.1 20.7 1.0 CB D:ARG105 4.1 20.8 1.0 CB H:ARG105 4.3 21.9 1.0 NH2 D:ARG24 4.4 16.4 1.0 NH2 H:ARG24 4.4 20.5 1.0 O D:ALA106 4.5 20.6 1.0 CD D:ARG105 4.6 21.8 1.0 O H:ALA106 4.7 19.8 1.0 CD H:ARG105 4.7 22.8 1.0 C D:ALA106 4.8 17.8 1.0 O G:ALA56 4.8 18.0 1.0 NE D:ARG105 4.8 23.6 1.0 C H:ALA106 4.9 17.6 1.0 O C:ALA56 4.9 20.5 1.0 NE H:ARG105 4.9 23.6 1.0

W.W.Phoo, Y.Li, Z.Zhang, M.Y.Lee, Y.R.Loh, Y.B.Tan, E.Y.Ng, J.Lescar, C.Kang, D.Luo. Structure of the NS2B-NS3 Protease From Zika Virus After Self-Cleavage. Nat Commun V. 7 13410 2016.
ISSN: ESSN 2041-1723
PubMed: 27845325
DOI: 10.1038/NCOMMS13410