Chlorine in PDB 2jlv: Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Amppnp

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

The structure of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Amppnp, PDB code: 2jlv 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)	20.00 / 2.3
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	132.660, 105.192, 72.435, 90.00, 117.66, 90.00
R / Rfree (%)	19.049 / 24.801

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

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Amppnp (pdb code 2jlv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Amppnp, PDB code: 2jlv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Amppnp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1622 b:21.0 occ:1.00 O A:HOH2196 3.1 29.6 1.0 O A:HOH2220 3.3 21.4 1.0 O2' A:ANP1619 3.3 27.0 1.0 N A:ARG418 3.4 21.3 1.0 NE A:ARG418 3.5 33.6 1.0 OD1 A:ASN416 3.6 21.7 1.0 CA A:ASN416 3.6 20.3 1.0 C A:ASN416 3.6 20.4 1.0 NH2 A:ARG418 3.7 35.4 1.0 CD A:ARG463 3.7 18.2 1.0 NE A:ARG463 3.8 20.7 1.0 N A:PHE417 3.8 20.4 1.0 CA A:ARG418 3.8 21.4 1.0 CB A:ASN416 3.8 20.4 1.0 CB A:ARG463 3.9 18.0 1.0 CZ A:ARG418 4.1 34.1 1.0 O A:ASN416 4.1 19.3 1.0 CG A:ASN416 4.2 20.8 1.0 O A:HOH2194 4.3 15.0 1.0 CG A:ARG418 4.3 23.8 1.0 C2' A:ANP1619 4.4 26.2 1.0 CG A:ARG463 4.4 17.8 1.0 C A:PHE417 4.5 21.2 1.0 CD A:ARG418 4.5 29.4 1.0 CB A:ARG418 4.7 21.5 1.0 O A:HOH2230 4.7 21.2 1.0 CA A:PHE417 4.7 20.8 1.0 O A:ARG460 4.9 18.3 1.0

Chlorine binding site 2 out of 2 in the Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Amppnp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1622 b:23.8 occ:1.00 O B:HOH2212 3.1 17.7 1.0 O B:HOH2185 3.1 40.8 1.0 N B:ARG418 3.3 21.8 1.0 O2' B:ANP1619 3.5 29.4 1.0 NE B:ARG418 3.5 35.9 1.0 CA B:ASN416 3.6 20.4 1.0 C B:ASN416 3.7 20.4 1.0 OD1 B:ASN416 3.7 19.9 1.0 CB B:ASN416 3.7 19.9 1.0 CD B:ARG463 3.7 18.8 1.0 CA B:ARG418 3.8 22.8 1.0 N B:PHE417 3.8 20.7 1.0 NE B:ARG463 3.9 18.8 1.0 NH2 B:ARG418 3.9 37.6 1.0 CB B:ARG463 4.0 19.6 1.0 O B:HOH2213 4.1 14.7 1.0 CG B:ASN416 4.2 20.1 1.0 CZ B:ARG418 4.2 37.1 1.0 O B:ASN416 4.2 20.5 1.0 CG B:ARG418 4.4 26.2 1.0 CD B:ARG418 4.4 31.7 1.0 CG B:ARG463 4.4 19.1 1.0 C B:PHE417 4.5 21.7 1.0 C2' B:ANP1619 4.5 28.4 1.0 O B:HOH2220 4.6 26.6 1.0 CB B:ARG418 4.6 23.0 1.0 O B:ARG460 4.7 19.5 1.0 CA B:PHE417 4.7 21.0 1.0 N B:ASN416 5.0 20.2 1.0 C B:ARG418 5.0 22.4 1.0

D.H.Luo, T.Xu, R.P.Watson, D.S.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