Chlorine in PDB 4gvd: Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide

The structure of Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide, PDB code: 4gvd was solved by X.Liu, T.R.Shepherd, A.M.Murray, Z.Xu, E.J.Fuentes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.95 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	26.517, 58.106, 50.948, 90.00, 90.50, 90.00
R / Rfree (%)	19.6 / 24.3

The structure of Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide (pdb code 4gvd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide, PDB code: 4gvd:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide


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 T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:60.6 occ:1.00 O A:VAL878 3.3 31.9 1.0 CB A:SER877 4.0 35.5 1.0 C A:VAL878 4.1 30.6 1.0 N A:VAL878 4.3 33.0 1.0 OG A:SER877 4.4 37.9 1.0 CA A:LYS879 4.7 35.5 1.0 N A:LYS879 4.7 29.4 1.0 CA A:SER877 4.9 32.7 1.0 CA A:VAL878 4.9 30.9 1.0 N A:GLU880 5.0 40.0 1.0 C A:SER877 5.0 32.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide


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 T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:65.3 occ:1.00 NA A:NA1002 2.5 45.8 1.0 O A:HOH1119 3.9 25.6 1.0 CG A:MET839 4.2 33.1 1.0 SD A:MET839 4.7 39.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide


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 T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with SYNDECAN1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1002 b:35.3 occ:1.00 NA B:NA1001 2.6 40.9 1.0 N B:VAL878 2.9 18.6 1.0 O B:VAL878 3.3 19.1 1.0 CA B:SER877 3.5 17.4 1.0 CB B:SER877 3.7 17.9 1.0 C B:SER877 3.7 17.9 1.0 C B:VAL878 3.9 20.8 1.0 CA B:VAL878 4.0 17.6 1.0 CB B:ALA891 4.0 23.1 1.0 O B:HOH1136 4.3 36.9 1.0 CB B:VAL878 4.5 17.4 1.0 O B:HOH1156 4.7 30.0 1.0 N B:SER877 4.8 16.5 1.0 OG B:SER877 4.8 22.5 1.0 O B:ASN876 4.9 22.4 1.0 O B:SER877 4.9 16.3 1.0

X.Liu, T.R.Shepherd, A.M.Murray, Z.Xu, E.J.Fuentes. The Structure of the TIAM1 Pdz Domain/ Phospho-SYNDECAN1 Complex Reveals A Ligand Conformation That Modulates Protein Dynamics. Structure V. 21 342 2013.
ISSN: ISSN 0969-2126
PubMed: 23395182
DOI: 10.1016/J.STR.2013.01.004