Chlorine in PDB 5kqr: Structure of NS5 Methyltransferase From Zika Virus Bound to S- Adenosylmethionine

The structure of Structure of NS5 Methyltransferase From Zika Virus Bound to S- Adenosylmethionine, PDB code: 5kqr was solved by R.Jain, J.Coloma, K.R.Rajashankar, A.K.Aggarwal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.40 / 1.33
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.650, 78.137, 45.375, 90.00, 106.98, 90.00
R / Rfree (%)	17 / 18.9

The binding sites of Chlorine atom in the Structure of NS5 Methyltransferase From Zika Virus Bound to S- Adenosylmethionine (pdb code 5kqr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of NS5 Methyltransferase From Zika Virus Bound to S- Adenosylmethionine, PDB code: 5kqr:

Chlorine binding site 1 out of 1 in the Structure of NS5 Methyltransferase From Zika Virus Bound to S- Adenosylmethionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of NS5 Methyltransferase From Zika Virus Bound to S- Adenosylmethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:30.9 occ:1.00 O A:HOH679 2.3 46.0 1.0 N A:GLY148 3.0 13.6 1.0 O A:HOH641 3.0 37.3 1.0 C A:GLY148 3.5 15.1 1.0 O A:GLY148 3.7 17.8 1.0 C5' A:SAM301 3.8 20.2 1.0 CA A:GLY148 3.8 14.9 1.0 CA A:ILE147 3.8 12.6 1.0 N A:GLU149 3.8 16.2 1.0 C8 A:SAM301 3.9 19.1 1.0 C A:ILE147 3.9 15.8 1.0 CG2 A:ILE147 4.0 14.3 1.0 O4' A:SAM301 4.2 19.4 1.0 CA A:GLU149 4.3 17.4 1.0 C2' A:SAM301 4.4 20.0 1.0 CB A:ILE147 4.5 12.2 1.0 O A:ASP146 4.5 22.7 1.0 C4' A:SAM301 4.5 18.7 1.0 CB A:GLU149 4.5 20.7 1.0 N9 A:SAM301 4.6 16.0 1.0 C3' A:SAM301 4.7 18.0 1.0 C1' A:SAM301 4.7 20.0 1.0 CE A:SAM301 4.8 16.5 0.8 NZ A:LYS182 4.8 30.4 1.0 N7 A:SAM301 4.8 19.4 1.0 O A:HOH615 4.8 16.8 1.0 CG1 A:ILE147 4.9 13.1 1.0 SD A:SAM301 5.0 14.5 0.6 N A:ILE147 5.0 13.7 1.0

J.Coloma, R.Jain, K.R.Rajashankar, A.Garcia-Sastre, A.K.Aggarwal. Structures of NS5 Methyltransferase From Zika Virus. Cell Rep V. 16 3097 2016.
ISSN: ESSN 2211-1247
PubMed: 27633330
DOI: 10.1016/J.CELREP.2016.08.091