Chlorine in PDB 2qsk: Atomic-Resolution Crystal Structure of the Recombinant Form of Scytovirin

The structure of Atomic-Resolution Crystal Structure of the Recombinant Form of Scytovirin, PDB code: 2qsk was solved by T.Moulaei, I.Botos, N.E.Ziolkowska, Z.Dauter, A.Wlodawer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.200, 38.790, 59.870, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 14.7

The binding sites of Chlorine atom in the Atomic-Resolution Crystal Structure of the Recombinant Form of Scytovirin (pdb code 2qsk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Atomic-Resolution Crystal Structure of the Recombinant Form of Scytovirin, PDB code: 2qsk:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Atomic-Resolution Crystal Structure of the Recombinant Form of Scytovirin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Atomic-Resolution Crystal Structure of the Recombinant Form of Scytovirin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl96 b:11.7 occ:1.00 N A:GLY15 3.2 12.4 1.0 O A:HOH197 3.5 27.9 1.0 CA A:GLY15 3.8 13.2 1.0 C A:PRO14 4.2 12.8 1.0 CA A:PRO14 4.3 13.5 1.0 C A:GLY15 4.4 11.3 1.0 N A:GLY16 4.6 10.5 1.0 O A:ASN13 4.9 11.1 1.0

Chlorine binding site 2 out of 3 in the Atomic-Resolution Crystal Structure of the Recombinant Form of Scytovirin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Atomic-Resolution Crystal Structure of the Recombinant Form of Scytovirin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl97 b:16.1 occ:0.75 O A:HOH157 2.7 23.9 1.0 O A:HOH160 2.8 29.2 1.0 OG1 A:THR5 2.9 11.6 1.0 N A:THR5 3.2 7.7 1.0 C A:GLY3 3.4 7.8 1.0 N A:PRO4 3.5 8.4 1.0 CA A:GLY3 3.5 8.8 1.0 CD A:PRO4 3.6 10.2 1.0 CB A:THR5 3.6 9.8 1.0 CG2 A:THR5 3.7 11.2 1.0 CA A:THR5 3.9 8.7 1.0 O A:GLY3 4.0 7.8 1.0 N A:GLY3 4.1 8.8 1.0 CG A:PRO4 4.2 12.1 1.0 C A:PRO4 4.3 8.4 1.0 CA A:PRO4 4.4 8.4 1.0 N A:TYR6 4.5 7.9 1.0 C A:THR5 4.6 8.5 1.0 OG A:SER2 4.6 13.7 1.0 CB A:ALA93 4.8 12.5 1.0 C A:SER2 4.8 9.5 1.0 O A:HOH172 5.0 28.2 1.0 CB A:PRO4 5.0 9.5 1.0 O A:HOH208 5.0 31.5 1.0

Chlorine binding site 3 out of 3 in the Atomic-Resolution Crystal Structure of the Recombinant Form of Scytovirin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Atomic-Resolution Crystal Structure of the Recombinant Form of Scytovirin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl98 b:30.9 occ:0.75 N A:LYS50 3.2 13.7 1.0 CA A:PRO49 3.8 14.3 1.0 CB A:PRO49 3.9 16.1 1.0 C A:PRO49 4.0 12.3 1.0 CB A:LYS50 4.0 13.2 1.0 CG A:LYS50 4.1 13.8 1.0 CA A:LYS50 4.2 12.2 1.0 CE A:LYS72 4.3 25.9 1.0 NZ A:LYS72 4.6 28.6 1.0 O A:HOH169 4.9 28.1 1.0 O A:LYS50 5.0 14.9 1.0

T.Moulaei, I.Botos, N.E.Ziolkowska, H.R.Bokesch, L.R.Krumpe, T.C.Mckee, B.R.O'keefe, Z.Dauter, A.Wlodawer. Atomic-Resolution Crystal Structure of the Antiviral Lectin Scytovirin. Protein Sci. V. 16 2756 2007.
ISSN: ISSN 0961-8368
PubMed: 17965185
DOI: 10.1110/PS.073157507