Chlorine in PDB 2wvo: Structure of the Het-S N-Terminal Domain

The structure of Structure of the Het-S N-Terminal Domain, PDB code: 2wvo was solved by J.Greenwald, C.Buhtz, C.Ritter, W.Kwiatkowski, S.Choe, S.J.Saupe, R.Riek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.10 / 2.30
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.260, 95.260, 170.650, 90.00, 90.00, 120.00
R / Rfree (%)	22.5 / 25.7

The binding sites of Chlorine atom in the Structure of the Het-S N-Terminal Domain (pdb code 2wvo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the Het-S N-Terminal Domain, PDB code: 2wvo:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of the Het-S N-Terminal Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Het-S N-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1224 b:56.4 occ:1.00 N A:ILE73 3.2 51.7 1.0 N A:ASP74 3.3 51.1 1.0 CB A:ASP74 3.5 51.2 1.0 CG A:ARG66 3.6 41.4 1.0 CB A:ARG66 3.6 41.6 1.0 CA A:PRO72 3.9 51.5 1.0 CB A:PRO72 4.0 51.6 1.0 C A:PRO72 4.0 51.4 1.0 CA A:ASP74 4.1 50.7 1.0 CA A:ILE73 4.1 52.2 1.0 C A:ILE73 4.2 51.8 1.0 CB A:ILE73 4.2 52.3 1.0 CA A:ARG66 4.2 41.1 1.0 CB A:VAL77 4.4 43.7 1.0 CG2 A:VAL77 4.4 41.5 1.0 NE A:ARG66 4.5 46.0 1.0 O A:ARG66 4.5 41.5 1.0 CG1 A:VAL77 4.6 43.2 1.0 CD A:ARG66 4.6 45.6 1.0 CG A:ASP74 4.6 53.3 1.0 OD1 A:ASP74 4.8 53.7 1.0 C A:ARG66 4.8 41.2 1.0 CG1 A:ILE73 4.8 52.7 1.0 O A:ASP74 4.9 49.5 1.0

Chlorine binding site 2 out of 4 in the Structure of the Het-S N-Terminal Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Het-S N-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1225 b:52.3 occ:1.00 O A:HOH2046 3.0 40.2 1.0 N A:TYR151 3.1 50.8 1.0 OG A:SER155 3.3 51.6 1.0 N A:ASP152 3.9 53.3 1.0 CB A:TYR151 3.9 50.2 1.0 CA A:TYR151 3.9 51.6 1.0 CB A:SER155 3.9 51.1 1.0 CG2 A:THR97 4.0 41.1 1.0 CA A:SER98 4.1 43.7 1.0 C A:LEU150 4.1 50.0 1.0 CA A:LEU150 4.1 49.4 1.0 CD1 A:TYR151 4.1 46.7 1.0 N A:SER98 4.2 43.0 1.0 CB A:SER98 4.3 43.0 1.0 C A:TYR151 4.3 52.7 1.0 O A:ALA149 4.3 47.9 1.0 OD1 A:ASP152 4.4 56.5 1.0 CG A:TYR151 4.5 49.0 1.0 C A:THR97 4.6 42.4 1.0 CB A:THR97 4.8 42.0 1.0 CD2 A:LEU150 4.8 50.0 1.0 O A:THR97 4.9 42.7 1.0 CB A:LEU150 4.9 49.2 1.0

Chlorine binding site 3 out of 4 in the Structure of the Het-S N-Terminal Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Het-S N-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1226 b:52.8 occ:1.00 N A:GLY13 3.1 44.2 1.0 N A:GLY16 3.2 39.6 1.0 CA A:GLY16 3.6 39.3 1.0 CA A:GLY13 3.7 43.7 1.0 O A:GLY13 3.9 42.8 1.0 C A:GLY13 4.0 42.8 1.0 C A:LEU12 4.2 45.2 1.0 O A:PHE67 4.2 42.4 1.0 C A:ALA15 4.3 40.3 1.0 CA A:LEU12 4.4 46.3 1.0 CB A:ALA15 4.4 40.5 1.0 CA A:HIS68 4.4 43.6 1.0 CB A:LEU12 4.4 46.3 1.0 N A:ALA15 4.5 41.2 1.0 O A:HIS68 4.6 45.2 1.0 CA A:ALA15 4.6 40.8 1.0 CD2 A:LEU12 4.7 46.2 1.0 C A:HIS68 4.7 44.8 1.0 CD2 A:HIS68 4.7 41.0 1.0 C A:GLY16 4.9 39.7 1.0 N A:VAL14 4.9 42.8 1.0 CB A:HIS68 5.0 42.9 1.0

Chlorine binding site 4 out of 4 in the Structure of the Het-S N-Terminal Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Het-S N-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1224 b:53.9 occ:1.00 N B:GLY16 3.1 41.6 1.0 N B:GLY13 3.3 46.9 1.0 CA B:GLY16 3.6 40.9 1.0 CD2 B:HIS68 3.7 53.8 1.0 CA B:GLY13 3.8 45.9 1.0 O B:GLY13 3.8 44.9 1.0 C B:GLY13 4.0 45.0 1.0 O B:PHE67 4.1 46.6 1.0 CB B:ALA15 4.2 42.5 1.0 C B:ALA15 4.2 41.9 1.0 O B:HIS68 4.3 50.1 1.0 CA B:HIS68 4.3 49.1 1.0 C B:LEU12 4.4 48.2 1.0 CB B:LEU12 4.5 48.9 1.0 N B:ALA15 4.5 42.7 1.0 CA B:LEU12 4.5 49.2 1.0 CA B:ALA15 4.5 42.1 1.0 CD2 B:LEU12 4.6 48.2 1.0 CG B:HIS68 4.6 52.4 1.0 NE2 B:HIS68 4.7 52.9 1.0 C B:HIS68 4.8 49.4 1.0 CB B:HIS68 4.8 49.8 1.0 C B:GLY16 4.9 40.9 1.0 N B:VAL14 4.9 44.1 1.0

J.Greenwald, C.Buhtz, C.Ritter, W.Kwiatkowski, S.Choe, M.L.Maddelein, F.Ness, S.Cescau, A.Soragni, D.Leitz, S.J.Saupe, R.Riek. The Mechanism of Prion Inhibition By Het-S. Mol.Cell V. 38 889 2010.
ISSN: ISSN 1097-2765
PubMed: 20620958
DOI: 10.1016/J.MOLCEL.2010.05.019