Zinc in PDB 5u0b: Structure of Full-Length Zika Virus NS5

All present enzymatic activity of Structure of Full-Length Zika Virus NS5:
2.1.1.56; 2.1.1.57; 2.7.7.48;

The structure of Structure of Full-Length Zika Virus NS5, PDB code: 5u0b was solved by B.Zhao, F.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	85.78 / 3.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	136.500, 197.000, 95.280, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 26.8

The binding sites of Zinc atom in the Structure of Full-Length Zika Virus NS5 (pdb code 5u0b). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of Full-Length Zika Virus NS5, PDB code: 5u0b:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of Full-Length Zika Virus NS5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Full-Length Zika Virus NS5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:30.2 occ:1.00 NE2 A:HIS443 2.3 37.8 1.0 OE1 A:GLU439 2.3 39.8 1.0 SG A:CYS448 2.3 37.7 1.0 SG A:CYS451 2.4 38.4 1.0 CD2 A:HIS443 3.1 38.8 1.0 CE1 A:HIS443 3.3 37.6 1.0 CB A:CYS451 3.4 37.8 1.0 CB A:CYS448 3.4 38.7 1.0 CD A:GLU439 3.5 40.5 1.0 CA A:CYS448 3.7 39.6 1.0 N A:CYS451 3.9 38.6 1.0 N A:HIS449 4.0 40.8 1.0 OE2 A:GLU439 4.0 41.0 1.0 C A:CYS448 4.3 39.6 1.0 CA A:CYS451 4.3 37.8 1.0 CG A:HIS443 4.3 39.1 1.0 ND1 A:HIS443 4.3 38.4 1.0 N A:SER450 4.4 41.1 1.0 CG A:GLU439 4.6 40.7 1.0 OG A:SER450 4.9 40.9 1.0 O A:GLU447 4.9 42.3 1.0 C A:SER450 5.0 40.1 1.0

Zinc binding site 2 out of 4 in the Structure of Full-Length Zika Virus NS5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Full-Length Zika Virus NS5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1003 b:44.5 occ:1.00 NE2 A:HIS714 2.2 42.1 1.0 SG A:CYS849 2.4 48.8 1.0 SG A:CYS730 2.4 41.6 1.0 CE1 A:HIS714 3.1 41.1 1.0 CD2 A:HIS714 3.2 42.6 1.0 CB A:CYS730 3.5 42.7 1.0 CB A:CYS849 3.5 46.3 1.0 OD1 A:ASN716 3.7 43.7 1.0 ND1 A:HIS714 4.2 40.9 1.0 CD1 A:LEU841 4.2 44.6 1.0 CG A:HIS714 4.3 41.8 1.0 O A:GLU845 4.5 48.1 1.0 C A:CYS730 4.6 39.3 1.0 CA A:CYS730 4.7 40.5 1.0 CG A:ASN716 4.7 45.3 1.0 N A:ARG731 4.8 42.9 1.0 O A:CYS730 4.8 40.1 1.0 CA A:CYS849 4.9 46.1 1.0 CB A:GLU845 4.9 54.0 1.0 O A:ARG731 4.9 40.7 1.0

Zinc binding site 3 out of 4 in the Structure of Full-Length Zika Virus NS5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Full-Length Zika Virus NS5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1002 b:27.8 occ:1.00 OE1 B:GLU439 2.1 31.7 1.0 NE2 B:HIS443 2.2 31.4 1.0 SG B:CYS448 2.3 30.3 1.0 SG B:CYS451 2.4 28.0 1.0 CD2 B:HIS443 3.1 32.0 1.0 CD B:GLU439 3.1 32.5 1.0 CE1 B:HIS443 3.2 31.0 1.0 CB B:CYS451 3.3 27.8 1.0 OE2 B:GLU439 3.5 32.6 1.0 CB B:CYS448 3.5 30.7 1.0 CA B:CYS448 3.8 31.6 1.0 N B:CYS451 3.9 29.1 1.0 N B:HIS449 4.1 32.5 1.0 CA B:CYS451 4.2 28.3 1.0 CG B:HIS443 4.3 31.9 1.0 ND1 B:HIS443 4.3 31.4 1.0 CG B:GLU439 4.3 32.8 1.0 C B:CYS448 4.4 32.1 1.0 N B:SER450 4.4 32.1 1.0 C B:SER450 4.8 30.8 1.0 OG1 B:THR573 4.8 27.4 1.0 CB B:GLU439 5.0 32.6 1.0

Zinc binding site 4 out of 4 in the Structure of Full-Length Zika Virus NS5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Full-Length Zika Virus NS5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1003 b:29.5 occ:1.00 NE2 B:HIS714 2.2 30.0 1.0 SG B:CYS849 2.3 35.2 1.0 SG B:CYS730 2.4 29.1 1.0 CE1 B:HIS714 3.0 29.4 1.0 CD2 B:HIS714 3.3 29.8 1.0 CB B:CYS730 3.3 28.9 1.0 CB B:CYS849 3.6 35.2 1.0 OD1 B:ASN716 3.6 33.7 1.0 ND1 B:HIS714 4.1 28.9 1.0 CD1 B:LEU841 4.2 32.6 1.0 CG B:HIS714 4.3 29.1 1.0 C B:CYS730 4.5 29.0 1.0 CA B:CYS730 4.6 28.4 1.0 CG B:ASN716 4.7 33.3 1.0 N B:ARG731 4.8 29.2 1.0 O B:CYS730 4.8 29.8 1.0 O B:ARG731 4.9 29.6 1.0 O B:GLU845 4.9 39.0 1.0 CA B:CYS849 4.9 37.3 1.0

B.Zhao, G.Yi, F.Du, Y.C.Chuang, R.C.Vaughan, B.Sankaran, C.C.Kao, P.Li. Structure and Function of the Zika Virus Full-Length NS5 Protein. Nat Commun V. 8 14762 2017.
ISSN: ESSN 2041-1723
PubMed: 28345656
DOI: 10.1038/NCOMMS14762