Chlorine in PDB 4tsq: Crystal Structure of Frac with Dhpc Bound (Crystal Form III)

The structure of Crystal Structure of Frac with Dhpc Bound (Crystal Form III), PDB code: 4tsq was solved by J.M.M.Caaveiro, K.Tanaka, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.25 / 1.60
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	70.270, 70.270, 202.973, 90.00, 90.00, 120.00
R / Rfree (%)	13.2 / 15.4

The binding sites of Chlorine atom in the Crystal Structure of Frac with Dhpc Bound (Crystal Form III) (pdb code 4tsq). 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 Frac with Dhpc Bound (Crystal Form III), PDB code: 4tsq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Frac with Dhpc Bound (Crystal Form III)


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 Frac with Dhpc Bound (Crystal Form III) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl206 b:59.2 occ:1.00 NE2 B:HIS139 3.3 44.6 1.0 CAJ B:HXG203 3.6 47.9 1.0 CAL B:HXG203 3.7 50.3 1.0 CE1 B:HIS139 3.8 44.9 1.0 CAC B:HXG203 3.9 47.0 1.0 CAE B:HXG203 4.2 47.9 1.0 NH1 B:ARG131 4.3 37.5 0.5 CD2 B:HIS139 4.5 40.2 1.0 NBC B:HXG203 4.5 47.0 1.0 CAD B:HXG203 4.7 44.9 1.0 CAN B:HXG203 5.0 46.3 1.0 NH2 B:ARG131 5.0 39.4 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of Frac with Dhpc Bound (Crystal Form III)


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 Frac with Dhpc Bound (Crystal Form III) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl206 b:56.2 occ:1.00 NH1 E:ARG53 3.8 34.5 1.0 NH2 E:ARG53 4.1 38.6 1.0 O C:HOH411 4.3 46.4 1.0 CZ E:ARG53 4.5 34.3 1.0

K.Tanaka, J.M.M.Caaveiro, K.Morante, J.M.Gonzalez-Manas, K.Tsumoto. Structural Basis For Self-Assembly of A Cytolytic Pore Lined By Protein and Lipid Nat Commun V. 6 6337 2015.
ISSN: ESSN 2041-1723
DOI: 10.1038/NCOMMS7337