Chlorine in PDB 2jlz: Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp

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

The structure of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp, PDB code: 2jlz 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 / 2.2
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	133.023, 104.794, 72.974, 90.00, 115.91, 90.00
R / Rfree (%)	19.202 / 23.841

The structure of Dengue Virus 4 NS3 Helicase in Complex with Ssrna and Adp 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 Adp (pdb code 2jlz). 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 Adp, PDB code: 2jlz:
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 Adp


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 Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1621 b:27.8 occ:1.00 O A:HOH2114 3.3 22.5 1.0 N A:ARG418 3.3 33.2 1.0 O2' A:ADP1619 3.4 35.4 1.0 CD A:ARG418 3.5 38.0 1.0 NH1 A:ARG418 3.5 43.0 1.0 CA A:ASN416 3.6 31.9 1.0 OD1 A:ASN416 3.6 29.5 1.0 C A:ASN416 3.6 32.1 1.0 CB A:ASN416 3.7 31.5 1.0 CD A:ARG463 3.7 30.5 1.0 CA A:ARG418 3.7 33.6 1.0 CB A:ARG463 3.8 31.1 1.0 N A:PHE417 3.8 32.2 1.0 NE A:ARG463 3.9 28.7 1.0 CG A:ASN416 4.1 30.4 1.0 O A:ASN416 4.2 32.1 1.0 O A:HOH2112 4.2 21.5 1.0 O A:HOH2116 4.3 22.3 1.0 CG A:ARG463 4.4 29.9 1.0 CG A:ARG418 4.4 34.9 1.0 NE A:ARG418 4.4 41.2 1.0 CZ A:ARG418 4.4 42.1 1.0 C A:PHE417 4.5 32.8 1.0 C2' A:ADP1619 4.5 34.8 1.0 CB A:ARG418 4.6 33.9 1.0 O A:ARG460 4.7 30.4 1.0 CA A:PHE417 4.7 32.5 1.0 C A:ARG418 4.9 33.5 1.0 N A:ASN416 4.9 32.0 1.0 N A:ALA419 5.0 33.1 1.0

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


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 Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1621 b:33.0 occ:1.00 O B:HOH2102 3.0 24.5 1.0 O B:HOH2052 3.1 38.4 1.0 N B:ARG418 3.2 33.3 1.0 NH1 B:ARG418 3.3 42.9 1.0 O2' B:ADP1619 3.4 38.5 1.0 CA B:ASN416 3.5 32.0 1.0 C B:ASN416 3.6 32.2 1.0 CA B:ARG418 3.7 33.5 1.0 CD B:ARG463 3.7 29.9 1.0 N B:PHE417 3.7 32.4 1.0 OD1 B:ASN416 3.7 30.2 1.0 CB B:ASN416 3.8 31.9 1.0 NE B:ARG463 3.8 26.4 1.0 CB B:ARG463 3.9 30.6 1.0 CG B:ARG418 4.0 35.5 1.0 O B:ASN416 4.1 32.1 1.0 O B:HOH2090 4.2 33.5 1.0 CG B:ASN416 4.2 30.8 1.0 CZ B:ARG418 4.3 42.6 1.0 C B:PHE417 4.3 32.9 1.0 CG B:ARG463 4.4 30.1 1.0 O B:HOH2109 4.4 26.2 1.0 CB B:ARG418 4.4 33.9 1.0 C2' B:ADP1619 4.5 38.4 1.0 O B:ARG460 4.6 30.1 1.0 CA B:PHE417 4.6 32.6 1.0 C B:ARG418 4.9 33.3 1.0 N B:ASN416 4.9 32.0 1.0 N B:ALA419 4.9 33.1 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