Chlorine in PDB 6u32: Crystal Structure of Halotag Bound to Tetramethylrhodamine-Halotag Ligand

The structure of Crystal Structure of Halotag Bound to Tetramethylrhodamine-Halotag Ligand, PDB code: 6u32 was solved by A.J.Berro, E.R.Schreiter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.43 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.530, 62.530, 164.169, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 19.3

The binding sites of Chlorine atom in the Crystal Structure of Halotag Bound to Tetramethylrhodamine-Halotag Ligand (pdb code 6u32). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Halotag Bound to Tetramethylrhodamine-Halotag Ligand, PDB code: 6u32:

Chlorine binding site 1 out of 1 in the Crystal Structure of Halotag Bound to Tetramethylrhodamine-Halotag Ligand


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 Halotag Bound to Tetramethylrhodamine-Halotag Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:20.8 occ:1.00 NE1 A:TRP107 3.2 18.9 1.0 ND2 A:ASN41 3.3 17.4 1.0 N A:PRO206 3.6 19.3 1.0 CA A:PRO206 3.7 20.3 1.0 CBO A:PVY301 3.7 24.8 1.0 CD1 A:TRP107 3.7 19.1 1.0 C A:PHE205 3.7 19.1 1.0 CD A:PRO206 3.8 19.0 1.0 CB A:PHE205 3.8 17.5 1.0 CZ A:PHE168 3.9 21.6 1.0 CB A:ASN41 3.9 17.9 1.0 CBN A:PVY301 3.9 23.4 1.0 CB A:PRO206 4.0 20.6 1.0 CD1 A:LEU209 4.0 22.2 1.0 O A:PHE205 4.1 19.6 1.0 CG A:ASN41 4.1 18.5 1.0 CD2 A:LEU209 4.2 20.9 1.0 CG A:LEU209 4.2 20.6 1.0 CBM A:PVY301 4.3 23.3 1.0 CE2 A:PHE168 4.4 23.9 1.0 CA A:PHE205 4.4 18.1 1.0 CE2 A:TRP107 4.5 19.1 1.0 CG A:PRO206 4.5 20.4 1.0 CE2 A:PHE149 4.5 24.0 1.0 OD2 A:ASP106 4.8 19.9 1.0 CG A:PHE205 4.8 17.7 1.0 CE1 A:PHE168 4.8 21.8 1.0

A.J.Berro, E.R.Schreiter. Crystal Structure of Halotag Bound to Tetramethylrhodamine-Halotag Ligand To Be Published.