Chlorine in PDB 5mrk: Structural Basis of Zika Virus Methyltransferase Inhibition By Sinefungin

The structure of Structural Basis of Zika Virus Methyltransferase Inhibition By Sinefungin, PDB code: 5mrk was solved by K.Hercik, E.Boura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.24 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	144.840, 52.010, 84.170, 90.00, 107.56, 90.00
R / Rfree (%)	22.7 / 26.9

The binding sites of Chlorine atom in the Structural Basis of Zika Virus Methyltransferase Inhibition By Sinefungin (pdb code 5mrk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Basis of Zika Virus Methyltransferase Inhibition By Sinefungin, PDB code: 5mrk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural Basis of Zika Virus Methyltransferase Inhibition By Sinefungin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Basis of Zika Virus Methyltransferase Inhibition By Sinefungin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:31.6 occ:1.00 H A:GLY148 2.3 26.7 1.0 H8 A:SFG301 2.7 26.4 1.0 H5'1 A:SFG301 3.0 22.5 1.0 H2' A:SFG301 3.1 34.1 1.0 N A:GLY148 3.2 22.2 1.0 HA A:ILE147 3.3 29.0 1.0 HG23 A:ILE147 3.4 37.2 1.0 C8 A:SFG301 3.5 22.0 1.0 C A:GLY148 3.6 26.6 1.0 HB2 A:GLU149 3.8 35.5 1.0 C5' A:SFG301 3.8 18.7 1.0 O A:GLY148 3.8 24.8 1.0 CA A:GLY148 3.9 30.5 1.0 N A:GLU149 3.9 23.7 1.0 C2' A:SFG301 3.9 28.4 1.0 HA A:GLU149 4.0 32.3 1.0 H3' A:SFG301 4.0 32.2 1.0 H5'2 A:SFG301 4.0 22.5 1.0 CA A:ILE147 4.1 24.1 1.0 C A:ILE147 4.1 20.6 1.0 O4' A:SFG301 4.2 28.2 1.0 HA2 A:GLY148 4.2 36.6 1.0 CG2 A:ILE147 4.2 31.0 1.0 H A:GLU149 4.3 28.4 1.0 N9 A:SFG301 4.3 28.0 1.0 CA A:GLU149 4.3 26.9 1.0 C3' A:SFG301 4.3 26.8 1.0 C1' A:SFG301 4.4 30.9 1.0 C4' A:SFG301 4.4 31.4 1.0 HG22 A:ILE147 4.4 37.2 1.0 HG12 A:ILE147 4.4 21.4 1.0 CB A:GLU149 4.5 29.6 1.0 N7 A:SFG301 4.5 26.6 1.0 O A:HOH547 4.5 13.4 1.0 O A:ASP146 4.6 24.4 1.0 CB A:ILE147 4.7 25.8 1.0 HA3 A:GLY148 4.8 36.6 1.0 HZ2 A:LYS182 4.8 60.5 1.0 HNE1 A:SFG301 4.9 45.3 1.0 NE A:SFG301 5.0 37.7 1.0 HB3 A:GLU149 5.0 35.5 1.0 HG21 A:ILE147 5.0 37.2 1.0

Chlorine binding site 2 out of 2 in the Structural Basis of Zika Virus Methyltransferase Inhibition By Sinefungin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Basis of Zika Virus Methyltransferase Inhibition By Sinefungin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:42.7 occ:1.00 H B:GLY148 2.1 32.6 1.0 N B:GLY148 3.0 27.1 1.0 H5'1 B:SFG301 3.1 39.7 1.0 HA B:ILE147 3.1 42.6 1.0 HG23 B:ILE147 3.2 34.3 1.0 H8 B:SFG301 3.3 55.7 1.0 C B:GLY148 3.4 39.4 1.0 HB2 B:GLU149 3.5 33.1 1.0 H2' B:SFG301 3.6 51.0 1.0 CA B:GLY148 3.7 28.0 1.0 N B:GLU149 3.7 27.9 1.0 O B:GLY148 3.7 27.1 1.0 HA B:GLU149 3.9 32.4 1.0 CA B:ILE147 3.9 35.4 1.0 C5' B:SFG301 3.9 33.0 1.0 C B:ILE147 3.9 31.4 1.0 HA2 B:GLY148 3.9 33.6 1.0 C8 B:SFG301 4.0 46.4 1.0 H5'2 B:SFG301 4.0 39.7 1.0 CG2 B:ILE147 4.0 28.6 1.0 H B:GLU149 4.1 33.5 1.0 HG22 B:ILE147 4.1 34.3 1.0 CA B:GLU149 4.2 26.9 1.0 HNE1 B:SFG301 4.2 48.5 1.0 HG12 B:ILE147 4.3 36.8 1.0 HZ3 B:LYS182 4.3 39.3 1.0 CB B:GLU149 4.3 27.5 1.0 H3' B:SFG301 4.3 35.7 1.0 O4' B:SFG301 4.3 40.1 1.0 C2' B:SFG301 4.4 42.4 1.0 O B:HOH510 4.5 24.7 1.0 CB B:ILE147 4.5 25.0 1.0 O B:ASP146 4.5 25.2 1.0 C4' B:SFG301 4.6 34.4 1.0 HA3 B:GLY148 4.6 33.6 1.0 N9 B:SFG301 4.6 38.5 1.0 C3' B:SFG301 4.7 29.7 1.0 C1' B:SFG301 4.7 37.8 1.0 HB3 B:GLU149 4.8 33.1 1.0 HG21 B:ILE147 4.8 34.3 1.0 N7 B:SFG301 4.9 38.5 1.0 CG1 B:ILE147 4.9 30.6 1.0

K.Hercik, J.Brynda, R.Nencka, E.Boura. Structural Basis of Zika Virus Methyltransferase Inhibition By Sinefungin. Arch. Virol. V. 162 2091 2017.
ISSN: ISSN 1432-8798
PubMed: 28357511
DOI: 10.1007/S00705-017-3345-X