Manganese in PDB 2jls: Dengue Virus 4 NS3 Helicase in Complex with Adp

All present enzymatic activity of Dengue Virus 4 NS3 Helicase in Complex with Adp:
3.4.21.91;

The structure of Dengue Virus 4 NS3 Helicase in Complex with Adp, PDB code: 2jls was solved by D.H.Luo, T.Xu, R.P.Watson, D.S.Becker, A.Sampath, W.Jahnke, S.S.Yeong, C.H.Wang, S.P.Lim, S.G.Vasudevan, J.Lescar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 2.23
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	52.313, 52.313, 192.932, 90.00, 90.00, 90.00
R / Rfree (%)	18.55 / 24.015

The structure of Dengue Virus 4 NS3 Helicase in Complex with Adp also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Dengue Virus 4 NS3 Helicase in Complex with Adp (pdb code 2jls). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Dengue Virus 4 NS3 Helicase in Complex with Adp, PDB code: 2jls:

Manganese binding site 1 out of 1 in the Dengue Virus 4 NS3 Helicase in Complex with Adp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Dengue Virus 4 NS3 Helicase in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1619 b:36.8 occ:1.00 O3B A:ADP1620 2.2 30.6 0.8 O A:HOH2238 2.2 26.1 1.0 O A:HOH2237 2.3 26.6 1.0 OG1 A:THR200 2.4 38.2 1.0 OE2 A:GLU285 2.4 30.5 1.0 O A:HOH2236 2.4 37.0 1.0 PB A:ADP1620 3.3 29.8 0.8 CB A:THR200 3.4 39.1 1.0 CD A:GLU285 3.4 29.5 1.0 O2B A:ADP1620 3.4 30.0 0.8 OE1 A:GLU285 3.7 30.2 1.0 OD1 A:ASP284 3.9 28.0 1.0 O1A A:ADP1620 3.9 32.3 0.8 N A:THR200 3.9 38.9 1.0 O A:HOH2058 4.0 27.3 1.0 OD2 A:ASP284 4.2 28.7 1.0 O A:HOH2167 4.2 30.9 1.0 CA A:THR200 4.2 39.1 1.0 O3A A:ADP1620 4.3 31.5 0.8 CG A:ASP284 4.4 27.4 1.0 O1B A:ADP1620 4.4 30.3 0.8 O A:HOH2144 4.5 28.5 1.0 PA A:ADP1620 4.5 32.6 0.8 CG2 A:THR200 4.5 38.9 1.0 CG A:GLU285 4.7 27.7 1.0 CB A:LYS199 4.7 37.9 1.0 O A:HOH2075 4.7 21.1 1.0 CE A:LYS199 4.7 36.7 1.0 O2A A:ADP1620 4.9 32.0 0.8 C A:LYS199 4.9 38.4 1.0 NZ A:LYS199 5.0 36.5 1.0

D.Luo, T.Xu, R.P.Watson, D.Scherer-Becker, A.Sampath, W.Jahnke, S.S.Yeong, C.H.Wang, S.P.Lim, A.Strongin, S.G.Vasudevan, J.Lescar. Insights Into Rna Unwinding and Atp Hydrolysis By the Flavivirus NS3 Protein. Embo J. V. 27 3209 2008.
ISSN: ISSN 0261-4189
PubMed: 19008861
DOI: 10.1038/EMBOJ.2008.232