Chlorine in PDB 6rlc: Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13

The structure of Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13, PDB code: 6rlc was solved by M.Feracci, K.Barral, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.02 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	29.23, 57.512, 101.094, 93.99, 96.08, 107.7
R / Rfree (%)	25.9 / 30.1

The binding sites of Chlorine atom in the Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13 (pdb code 6rlc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13, PDB code: 6rlc:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13


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 the Pdz Tandem of Syntenin in Complex with Fragment F13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:42.3 occ:0.85 CL A:K7Z301 0.0 42.3 0.8 C10 A:K7Z301 1.8 38.9 0.8 C9 A:K7Z301 2.7 38.7 0.8 C11 A:K7Z301 2.7 37.0 0.8 N A:SER252 3.4 43.8 1.0 C A:ASP251 3.5 41.3 1.0 CA A:SER252 3.5 45.2 1.0 CB A:ASP251 3.6 41.4 1.0 O A:ASP251 3.7 39.2 1.0 CB A:SER252 4.0 48.4 1.0 C12 A:K7Z301 4.0 36.6 0.8 C8 A:K7Z301 4.0 37.0 0.8 CA A:ASP251 4.2 40.9 1.0 O A:HOH422 4.3 32.2 1.0 C7 A:K7Z301 4.5 35.9 0.8 CB A:ALA255 4.7 41.2 1.0 C A:SER252 4.8 44.9 1.0 CG A:ASP251 4.9 40.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:44.6 occ:0.83 CL B:K7Z301 0.0 44.6 0.8 C10 B:K7Z301 1.8 38.4 0.8 C11 B:K7Z301 2.7 37.8 0.8 C9 B:K7Z301 2.7 36.2 0.8 N B:SER252 3.6 36.0 1.0 CB B:ASP251 3.7 33.5 1.0 CA B:SER252 3.8 36.6 1.0 C B:ASP251 3.8 34.2 1.0 C12 B:K7Z301 4.0 36.5 0.8 C8 B:K7Z301 4.0 35.4 0.8 CB B:SER252 4.1 38.2 1.0 O B:ASP251 4.1 33.5 1.0 O B:HOH427 4.3 33.2 1.0 CA B:ASP251 4.4 33.5 1.0 C7 B:K7Z301 4.5 35.1 0.8

Chlorine binding site 3 out of 4 in the Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:42.3 occ:0.82 CL C:K7Z301 0.0 42.3 0.8 C10 C:K7Z301 1.8 38.1 0.8 C9 C:K7Z301 2.7 38.9 0.8 C11 C:K7Z301 2.7 38.4 0.8 N C:SER252 3.4 42.4 1.0 C C:ASP251 3.5 40.4 1.0 CB C:ASP251 3.6 42.1 1.0 CA C:SER252 3.6 43.1 1.0 O C:ASP251 3.8 38.4 1.0 C8 C:K7Z301 4.0 38.7 0.8 C12 C:K7Z301 4.0 40.1 0.8 CB C:SER252 4.0 46.3 1.0 CA C:ASP251 4.2 40.8 1.0 O C:HOH435 4.2 31.1 1.0 C7 C:K7Z301 4.5 39.6 0.8 CB C:ALA255 4.8 38.8 1.0 CG C:ASP251 4.9 41.9 1.0 C C:SER252 4.9 41.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Pdz Tandem of Syntenin in Complex with Fragment F13 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:45.7 occ:0.82 CL D:K7Z301 0.0 45.7 0.8 C10 D:K7Z301 1.8 44.0 0.8 C9 D:K7Z301 2.7 42.9 0.8 C11 D:K7Z301 2.7 42.2 0.8 O A:SER259 2.9 41.5 1.0 O A:SER261 3.5 40.4 1.0 NZ A:LYS203 3.5 41.3 1.0 N D:SER252 3.6 36.8 1.0 CB D:ASP251 3.6 35.3 1.0 C D:ASP251 3.7 35.3 1.0 CA D:SER252 3.7 36.7 1.0 CB D:SER252 4.0 38.4 1.0 C8 D:K7Z301 4.0 40.2 0.8 C12 D:K7Z301 4.0 39.4 0.8 C A:SER259 4.1 42.1 1.0 O D:ASP251 4.1 34.6 1.0 O D:HOH424 4.2 34.8 1.0 CA D:ASP251 4.3 35.6 1.0 C7 D:K7Z301 4.5 39.2 0.8 C A:SER261 4.7 41.0 1.0 CA A:THR260 4.7 45.3 1.0 C A:THR260 4.7 43.9 1.0 N A:THR260 4.8 43.6 1.0 N A:SER261 4.8 41.8 1.0 CE A:LYS203 4.9 39.9 1.0 CG D:ASP251 4.9 35.2 1.0

R.Leblanc, R.Kashyap, K.Barral, A.L.Egea-Jimenez, D.Kovalskyy, M.Feracci, M.Garcia, C.Derviaux, S.Betzi, R.Ghossoub, M.Platonov, P.Roche, X.Morelli, L.Hoffer, P.Zimmermann. Pharmacological Inhibition of Syntenin PDZ2 Domain Impairs Breast Cancer Cell Activities and Exosome Loadifing with Syndecan and Epcam Cargo. J Extracell Vesicles V. 10 12039 2020.
ISSN: ISSN 2001-3078
PubMed: 33343836
DOI: 10.1002/JEV2.12039