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

The structure of Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with Phosphorylated SYNDECAN1 Peptide, PDB code: 4gvc 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)	37.85 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	26.717, 50.135, 57.712, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 20

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

Sodium

(Na)

1 atom

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

Chlorine binding site 1 out of 2 in the Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with Phosphorylated 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 Phosphorylated SYNDECAN1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:11.6 occ:1.00 OG A:SER877 3.3 10.5 1.0 N A:LYS879 3.7 9.4 1.0 CB A:LYS879 3.9 10.3 1.0 CE1 B:PTR7 4.0 8.9 1.0 CA A:LYS879 4.0 10.5 1.0 CB A:SER877 4.1 8.4 1.0 CD1 B:PTR7 4.1 7.7 1.0 C A:VAL878 4.2 8.3 1.0 O A:GLY859 4.5 6.5 1.0 C A:SER877 4.5 7.2 1.0 N A:VAL878 4.6 7.2 1.0 CG A:LYS879 4.6 12.6 1.0 CA A:PHE860 4.6 6.0 1.0 C A:GLY859 4.6 6.2 1.0 CA A:VAL878 4.7 7.8 1.0 O A:SER877 4.7 6.7 1.0 N A:PHE860 4.7 6.0 1.0 O A:VAL878 4.8 9.4 1.0 C A:PHE860 4.8 5.7 1.0 N A:SER861 4.9 6.0 1.0 CD A:LYS879 4.9 14.2 1.0 CA A:SER877 5.0 7.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of T-Cell Lymphoma Invasion and Metastasis-1 Pdz in Complex with Phosphorylated 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 Phosphorylated SYNDECAN1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:12.9 occ:1.00 NA B:NA103 2.7 18.6 1.0 N B:LYS2 3.6 14.3 1.0 CA B:THR1 4.0 14.7 1.0 C2 B:ANS101 4.0 14.6 1.0 CG B:LYS2 4.2 14.6 1.0 C B:THR1 4.3 14.5 1.0 O2S B:ANS101 4.4 14.1 1.0 CB B:LYS2 4.4 14.7 1.0 CD B:LYS2 4.4 14.8 1.0 C3 B:ANS101 4.5 15.0 1.0 CB B:THR1 4.5 15.0 1.0 CA B:LYS2 4.6 14.6 1.0 CG2 B:THR1 4.7 15.7 1.0 O B:LYS2 4.7 15.8 1.0 C1 B:ANS101 4.9 13.9 1.0 CE B:LYS2 4.9 16.0 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