Sodium in PDB 4ctj: Dengue 3 NS5 Methyltransferase Bound to S-Adenosyl Methionine and Fragment 3A9

All present enzymatic activity of Dengue 3 NS5 Methyltransferase Bound to S-Adenosyl Methionine and Fragment 3A9:
2.1.1.56; 2.1.1.57;

The structure of Dengue 3 NS5 Methyltransferase Bound to S-Adenosyl Methionine and Fragment 3A9, PDB code: 4ctj was solved by K.Barral, G.Bricogne, A.Sharff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.16 / 1.47
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.980, 185.430, 51.520, 90.00, 90.00, 90.00
R / Rfree (%)	15.55 / 17.97

The binding sites of Sodium atom in the Dengue 3 NS5 Methyltransferase Bound to S-Adenosyl Methionine and Fragment 3A9 (pdb code 4ctj). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Dengue 3 NS5 Methyltransferase Bound to S-Adenosyl Methionine and Fragment 3A9, PDB code: 4ctj:

Sodium binding site 1 out of 1 in the Dengue 3 NS5 Methyltransferase Bound to S-Adenosyl Methionine and Fragment 3A9


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Dengue 3 NS5 Methyltransferase Bound to S-Adenosyl Methionine and Fragment 3A9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1265 b:41.1 occ:1.00 OE2 A:GLU111 2.9 41.2 0.5 O A:HOH2259 3.6 27.8 1.0 C A:GLY109 3.7 18.7 1.0 O A:GLY109 3.8 20.2 1.0 N A:HIS110 3.8 14.2 1.0 C A:HIS110 3.8 16.4 1.0 CD A:GLU111 3.9 38.2 0.5 N A:GLU111 3.9 13.6 0.5 CA A:HIS110 4.1 13.4 1.0 O A:HIS110 4.1 16.5 1.0 N A:GLU111 4.1 12.6 0.5 CG A:GLU111 4.2 18.1 0.5 OE2 A:GLU111 4.3 19.2 0.5 CD A:GLU111 4.3 22.3 0.5 CA A:GLY109 4.4 16.5 1.0 OE1 A:GLU111 4.5 8.6 0.5 CA A:GLU111 4.5 12.9 0.5 CA A:GLU111 4.7 10.6 0.5 CG A:GLU111 4.8 11.1 0.5 O A:HOH2257 4.8 20.8 1.0 N A:GLY109 4.9 15.4 1.0 CB A:GLU111 4.9 13.6 0.5 OE1 A:GLU111 5.0 25.7 0.5

B.Coutard, E.Decroly, C.Li, A.Sharff, J.Lescar, G.Bricogne, K.Barral. Assessment of Dengue Virus Helicase and Methyltransferase As Targets For Fragment-Based Drug Discovery. Antiviral Res. V. 106 61 2014.
ISSN: ISSN 0166-3542
PubMed: 24704437
DOI: 10.1016/J.ANTIVIRAL.2014.03.013