Chlorine in PDB 5k8t: Crystal Structure of Zikv NS3 Helicase in Complex with Gtp-Gammar S and An Magnesium Ion

The structure of Crystal Structure of Zikv NS3 Helicase in Complex with Gtp-Gammar S and An Magnesium Ion, PDB code: 5k8t was solved by X.Cao, Y.Li, T.Jin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.40 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.950, 53.420, 65.390, 90.00, 105.04, 90.00
R / Rfree (%)	18.5 / 24.7

The structure of Crystal Structure of Zikv NS3 Helicase in Complex with Gtp-Gammar S and An Magnesium Ion also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Zikv NS3 Helicase in Complex with Gtp-Gammar S and An Magnesium Ion (pdb code 5k8t). 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 Crystal Structure of Zikv NS3 Helicase in Complex with Gtp-Gammar S and An Magnesium Ion, PDB code: 5k8t:

Chlorine binding site 1 out of 1 in the Crystal Structure of Zikv NS3 Helicase in Complex with Gtp-Gammar S and An Magnesium Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Zikv NS3 Helicase in Complex with Gtp-Gammar S and An Magnesium Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:34.0 occ:1.00 OG1 A:THR409 3.2 27.2 1.0 N A:ARG388 3.2 25.3 1.0 NH1 A:ARG388 3.4 37.9 1.0 CG A:ARG388 3.7 33.0 1.0 CB A:THR409 3.8 28.1 1.0 CB A:ARG388 3.8 30.3 1.0 CG2 A:THR409 3.8 21.6 1.0 CD A:ARG388 3.9 37.4 1.0 CB A:SER387 3.9 29.6 1.0 CA A:SER387 4.0 24.5 1.0 CA A:ARG388 4.1 27.8 1.0 C A:SER387 4.1 26.5 1.0 CG2 A:VAL366 4.2 33.6 1.0 CZ A:ARG388 4.4 42.4 1.0 NE A:ARG388 4.6 36.2 1.0 O A:HOH960 4.7 56.2 1.0 OG A:SER387 4.9 36.5 1.0 O A:HOH853 4.9 35.6 1.0 OD1 A:ASP410 5.0 40.4 1.0

X.Cao, Y.Li, X.Jin, Y.Li, F.Guo, T.Jin. Molecular Mechanism of Divalent-Metal-Induced Activation of NS3 Helicase and Insights Into Zika Virus Inhibitor Design. Nucleic Acids Res. V. 44 10505 2016.
ISSN: ESSN 1362-4962
PubMed: 27915293
DOI: 10.1093/NAR/GKW941