Chlorine in PDB 5vvi: Crystal Structure of the Ligand Binding Domain of Lysr-Type Transcriptional Regulator, Occr From Agrobacterium Tumefaciens in the Complex with Octopine

The structure of Crystal Structure of the Ligand Binding Domain of Lysr-Type Transcriptional Regulator, Occr From Agrobacterium Tumefaciens in the Complex with Octopine, PDB code: 5vvi was solved by Y.Kim, G.Chhor, R.Jedrzejczak, S.C.Winans, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.84 / 2.28
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	58.417, 101.985, 112.707, 90.00, 98.14, 90.00
R / Rfree (%)	19.2 / 24.9

The binding sites of Chlorine atom in the Crystal Structure of the Ligand Binding Domain of Lysr-Type Transcriptional Regulator, Occr From Agrobacterium Tumefaciens in the Complex with Octopine (pdb code 5vvi). 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 the Ligand Binding Domain of Lysr-Type Transcriptional Regulator, Occr From Agrobacterium Tumefaciens in the Complex with Octopine, PDB code: 5vvi:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Ligand Binding Domain of Lysr-Type Transcriptional Regulator, Occr From Agrobacterium Tumefaciens in the Complex with Octopine


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 Ligand Binding Domain of Lysr-Type Transcriptional Regulator, Occr From Agrobacterium Tumefaciens in the Complex with Octopine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:73.5 occ:1.00 N B:GLY196 3.3 42.6 1.0 CA B:THR195 3.6 40.3 1.0 C B:THR195 4.0 41.6 1.0 CG B:MSE201 4.0 32.1 1.0 CG2 B:THR195 4.2 47.3 1.0 SE A:MSE201 4.3 26.0 0.6 CB B:THR195 4.3 43.7 1.0 SE B:MSE201 4.3 37.8 0.7 CA B:GLY196 4.4 45.6 1.0 CA B:MSE201 4.4 29.7 1.0 N B:MSE201 4.4 28.3 1.0 CB B:MSE201 4.5 31.1 1.0 OG1 B:THR195 4.5 42.6 1.0 N B:THR195 4.5 37.6 1.0 O B:GLU194 4.6 35.3 1.0 CB B:ALA200 4.6 25.4 1.0 C B:ALA200 4.7 27.1 1.0 C B:GLU194 4.9 35.4 1.0 OE1 B:GLU204 4.9 39.3 1.0 C B:GLY196 5.0 44.9 1.0 NZ B:LYS192 5.0 43.3 1.0 O B:THR197 5.0 33.9 1.0

Y.Kim, G.Chhor, C.S.Tsai, J.B.Winans, R.Jedrzejczak, A.Joachimiak, S.C.Winans. Crystal Structure of the Ligand-Binding Domain of A Lysr-Type Transcriptional Regulator: Transcriptional Activation Via A Rotary Switch. Mol. Microbiol. 2018.
ISSN: ESSN 1365-2958
PubMed: 30168204
DOI: 10.1111/MMI.14115