Zinc in PDB 5tmh: Structure of Zika Virus NS5

The structure of Structure of Zika Virus NS5, PDB code: 5tmh was solved by B.Wang, X.Tan, J.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.24 / 3.28
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	95.136, 136.478, 196.978, 90.00, 90.00, 90.00
R / Rfree (%)	26.2 / 29.3

The binding sites of Zinc atom in the Structure of Zika Virus NS5 (pdb code 5tmh). 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 Zika Virus NS5, PDB code: 5tmh:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of 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 Zika Virus NS5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:74.8 occ:1.00 OE2 A:GLU439 2.0 33.2 1.0 NE2 A:HIS443 2.1 60.1 1.0 SG A:CYS451 2.3 30.9 1.0 SG A:CYS448 2.4 31.9 1.0 CD2 A:HIS443 3.0 49.5 1.0 CD A:GLU439 3.0 33.6 1.0 CE1 A:HIS443 3.2 46.1 1.0 CG A:GLU439 3.3 43.5 1.0 CB A:CYS451 3.5 34.6 1.0 CB A:CYS448 3.5 32.5 1.0 CA A:CYS448 3.8 33.4 1.0 N A:CYS451 3.8 32.1 1.0 N A:HIS449 4.1 34.3 1.0 OE1 A:GLU439 4.1 34.5 1.0 CG A:HIS443 4.2 31.7 1.0 ND1 A:HIS443 4.2 30.9 1.0 CA A:CYS451 4.3 31.2 1.0 N A:SER450 4.4 33.9 1.0 C A:CYS448 4.4 34.1 1.0 O A:GLU439 4.8 33.8 1.0 C A:SER450 4.8 32.7 1.0 OG A:SER450 4.8 33.8 1.0 CB A:GLU439 4.8 51.1 1.0 CD1 A:LEU485 4.8 31.2 1.0 O A:GLU447 4.9 33.2 1.0

Zinc binding site 2 out of 4 in the Structure of 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 Zika Virus NS5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1003 b:64.2 occ:1.00 NE2 A:HIS714 2.2 38.2 1.0 SG A:CYS849 2.3 50.5 1.0 SG A:CYS730 2.4 30.6 1.0 CD2 A:HIS714 2.9 32.6 1.0 CB A:CYS730 3.3 30.2 1.0 CE1 A:HIS714 3.3 58.2 1.0 OD1 A:ASN716 3.5 32.3 1.0 CB A:CYS849 3.5 51.1 1.0 CG A:HIS714 4.1 30.2 1.0 CD1 A:LEU841 4.3 50.7 1.0 ND1 A:HIS714 4.3 29.9 1.0 O A:GLU845 4.3 53.6 1.0 CA A:CYS730 4.7 29.5 1.0 CG A:ASN716 4.7 32.8 1.0 C A:CYS730 4.8 34.0 1.0 CA A:CYS849 4.9 56.3 1.0 N A:ARG731 5.0 29.1 1.0

Zinc binding site 3 out of 4 in the Structure of 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 Zika Virus NS5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1002 b:20.7 occ:1.00 OE2 B:GLU439 1.8 78.5 1.0 NE2 B:HIS443 2.3 61.8 1.0 SG B:CYS448 2.3 61.8 1.0 SG B:CYS451 2.4 60.2 1.0 CD B:GLU439 2.9 62.6 1.0 CD2 B:HIS443 3.0 62.7 1.0 CE1 B:HIS443 3.4 61.4 1.0 CG B:GLU439 3.4 62.2 1.0 CB B:CYS451 3.5 59.8 1.0 CB B:CYS448 3.5 62.9 1.0 CA B:CYS448 3.7 63.7 1.0 N B:CYS451 3.8 60.5 1.0 N B:HIS449 3.9 63.5 1.0 OE1 B:GLU439 4.0 63.2 1.0 N B:SER450 4.2 62.2 1.0 CA B:CYS451 4.2 59.7 1.0 CG B:HIS443 4.3 62.8 1.0 C B:CYS448 4.3 63.8 1.0 ND1 B:HIS443 4.4 62.0 1.0 OG B:SER450 4.7 61.7 1.0 C B:SER450 4.7 60.6 1.0 O B:GLU439 4.8 65.5 1.0 CD1 B:LEU485 4.9 60.9 1.0 CB B:GLU439 4.9 68.1 1.0 O B:GLU447 4.9 64.7 1.0 CA B:SER450 5.0 61.6 1.0

Zinc binding site 4 out of 4 in the Structure of 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 Zika Virus NS5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1003 b:43.0 occ:1.00 SG B:CYS730 2.4 69.5 1.0 SG B:CYS849 2.4 70.8 1.0 NE2 B:HIS714 2.4 74.4 1.0 CD2 B:HIS714 3.1 73.3 1.0 CB B:CYS730 3.4 70.2 1.0 OD1 B:ASN716 3.5 75.5 1.0 CE1 B:HIS714 3.5 75.6 1.0 CB B:CYS849 3.6 69.2 1.0 CD1 B:LEU841 4.2 71.7 1.0 O B:GLU845 4.3 73.5 1.0 CG B:HIS714 4.4 73.3 1.0 ND1 B:HIS714 4.5 71.9 1.0 CG B:ASN716 4.7 77.1 1.0 CA B:CYS730 4.7 69.0 1.0 C B:CYS730 4.8 68.5 1.0 NH1 B:ARG771 4.9 66.4 1.0 N B:ARG731 4.9 67.3 1.0 CA B:CYS849 4.9 75.6 1.0

B.Wang, X.F.Tan, S.Thurmond, Z.M.Zhang, A.Lin, R.Hai, J.Song. The Structure of Zika Virus NS5 Reveals A Conserved Domain Conformation. Nat Commun V. 8 14763 2017.
ISSN: ESSN 2041-1723
PubMed: 28345600
DOI: 10.1038/NCOMMS14763