Chlorine in PDB 4wxp: X-Ray Crystal Structure of NS3 Helicase From Hcv with A Bound Fragment Inhibitor at 2.08 A Resolution

The structure of X-Ray Crystal Structure of NS3 Helicase From Hcv with A Bound Fragment Inhibitor at 2.08 A Resolution, PDB code: 4wxp was solved by D.R.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.57 / 2.08
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.444, 92.444, 104.133, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 23.2

The structure of X-Ray Crystal Structure of NS3 Helicase From Hcv with A Bound Fragment Inhibitor at 2.08 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the X-Ray Crystal Structure of NS3 Helicase From Hcv with A Bound Fragment Inhibitor at 2.08 A Resolution (pdb code 4wxp). 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 X-Ray Crystal Structure of NS3 Helicase From Hcv with A Bound Fragment Inhibitor at 2.08 A Resolution, PDB code: 4wxp:

Chlorine binding site 1 out of 1 in the X-Ray Crystal Structure of NS3 Helicase From Hcv with A Bound Fragment Inhibitor at 2.08 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of NS3 Helicase From Hcv with A Bound Fragment Inhibitor at 2.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:29.6 occ:1.00 O A:HOH815 3.0 26.8 1.0 OG1 A:THR212 3.2 30.8 1.0 N A:GLY209 3.3 32.7 1.0 N A:SER211 3.5 21.9 1.0 CA A:GLY209 3.6 30.8 1.0 C A:GLY209 3.7 30.8 1.0 N A:LYS210 3.7 26.8 1.0 C A:GLY207 3.8 31.9 1.0 CA A:GLY207 3.8 30.9 1.0 CG2 A:THR212 3.9 24.5 1.0 CB A:SER211 3.9 26.3 1.0 N A:THR212 4.0 26.4 1.0 N A:SER208 4.0 30.4 1.0 N A:GLY207 4.0 31.7 1.0 CA A:SER211 4.1 23.6 1.0 O A:GLY207 4.1 35.4 1.0 CB A:THR212 4.1 28.0 1.0 OG A:SER211 4.2 28.6 1.0 O A:GLY209 4.3 32.7 1.0 C A:SER211 4.3 26.3 1.0 C A:SER208 4.4 36.5 1.0 C A:LYS210 4.5 27.4 1.0 CA A:LYS210 4.7 28.9 1.0 CA A:THR212 4.7 21.1 1.0 CG A:LYS210 4.7 25.7 1.0 CA A:SER208 4.8 35.6 1.0

B.O.Buckman, K.Kossen, S.Misialek, S.Stevens, R.Rajagopalan, D.Ruhmund, L.Hooi, N.Snarskaya, V.Serebryany, G.Wang, A.Stoycheva, J.B.Nicholas, D.R.Davies, S.Brunton, C.Montalbetti, D.Weddell, C.Goodwin, D.Schonfeld, O.Mather, R.Cheng, L.Blatt, L.Beigelman. Crystal Structure of NS3 Helicase From Hcv with A Bound Fragment Inhibitor To Be Published.