Atomistry » Chlorine » PDB 5eie-5esh » 5ekx
Atomistry »
  Chlorine »
    PDB 5eie-5esh »
      5ekx »

Chlorine in PDB 5ekx: Dengue 3 NS5 Methyltransferase Bound to S-Adenosylmethionine and Fragment NB2E11

Enzymatic activity of Dengue 3 NS5 Methyltransferase Bound to S-Adenosylmethionine and Fragment NB2E11

All present enzymatic activity of Dengue 3 NS5 Methyltransferase Bound to S-Adenosylmethionine and Fragment NB2E11:
2.1.1.56; 2.1.1.57; 2.7.7.48; 3.4.21.91; 3.6.1.15; 3.6.4.13;

Protein crystallography data

The structure of Dengue 3 NS5 Methyltransferase Bound to S-Adenosylmethionine and Fragment NB2E11, PDB code: 5ekx 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) 51.49 / 1.76
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 60.999, 183.704, 51.493, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 22.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Dengue 3 NS5 Methyltransferase Bound to S-Adenosylmethionine and Fragment NB2E11 (pdb code 5ekx). 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 Dengue 3 NS5 Methyltransferase Bound to S-Adenosylmethionine and Fragment NB2E11, PDB code: 5ekx:

Chlorine binding site 1 out of 1 in 5ekx

Go back to Chlorine Binding Sites List in 5ekx
Chlorine binding site 1 out of 1 in the Dengue 3 NS5 Methyltransferase Bound to S-Adenosylmethionine and Fragment NB2E11


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dengue 3 NS5 Methyltransferase Bound to S-Adenosylmethionine and Fragment NB2E11 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:45.7
occ:0.83
CL A:2CQ302 0.0 45.7 0.8
CAJ A:2CQ302 1.7 35.6 0.8
CAF A:2CQ302 2.7 32.2 0.8
CAG A:2CQ302 2.7 34.5 0.8
CAA A:2CQ302 3.0 29.8 0.8
CAI A:2CQ302 4.0 34.0 0.8
CAE A:2CQ302 4.0 37.4 0.8
CG A:PRO108 4.1 33.3 1.0
CAH A:2CQ302 4.5 35.6 0.8
CD A:PRO108 4.6 29.4 1.0
CB A:PRO108 4.9 28.2 1.0
N A:PRO108 5.0 28.0 1.0

Reference:

F.Benmansour, I.Trist, B.Coutard, E.Decroly, G.Querat, A.Brancale, K.Barral. Discovery of Novel Dengue Virus NS5 Methyltransferase Non-Nucleoside Inhibitors By Fragment-Based Drug Design. Eur.J.Med.Chem. V. 125 865 2016.
ISSN: ISSN 0223-5234
PubMed: 27750202
DOI: 10.1016/J.EJMECH.2016.10.007
Page generated: Fri Jul 26 07:23:20 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy