Chlorine in PDB 5wii: Trae Protein in Complex with 2-Chloroisonicotinic Acid

The structure of Trae Protein in Complex with 2-Chloroisonicotinic Acid, PDB code: 5wii was solved by B.Casu, T.Arya, B.Bessette, C.Baron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.16 / 2.79
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	111.799, 124.116, 109.993, 90.00, 90.00, 90.00
R / Rfree (%)	29.8 / 35.7

The binding sites of Chlorine atom in the Trae Protein in Complex with 2-Chloroisonicotinic Acid (pdb code 5wii). 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 Trae Protein in Complex with 2-Chloroisonicotinic Acid, PDB code: 5wii:

Chlorine binding site 1 out of 1 in the Trae Protein in Complex with 2-Chloroisonicotinic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trae Protein in Complex with 2-Chloroisonicotinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:51.5 occ:0.90 CL1 A:AO4301 0.0 51.5 0.9 CAB A:AO4301 1.8 44.1 0.7 NAC A:AO4301 2.7 53.5 1.0 CAA A:AO4301 2.8 46.2 1.0 HAA A:AO4301 3.0 55.5 1.0 O A:SER112 3.0 43.4 1.0 O A:ARG110 3.3 40.1 1.0 OH A:TYR137 3.5 46.8 1.0 HE1 A:TYR137 3.6 53.7 1.0 HZ A:PHE141 3.7 62.0 1.0 O A:HIS109 3.7 50.4 1.0 HD1 A:TYR113 3.9 53.6 1.0 C A:ARG110 3.9 31.8 1.0 CAD A:AO4301 4.0 44.1 1.0 HA A:ARG110 4.0 39.0 1.0 HH A:TYR137 4.0 56.1 1.0 HA A:TYR113 4.1 49.3 1.0 CAF A:AO4301 4.1 39.1 1.0 C A:SER112 4.1 42.4 1.0 CE1 A:TYR137 4.3 44.7 1.0 HB2 A:TYR113 4.4 52.0 1.0 CZ A:TYR137 4.4 48.2 1.0 CA A:ARG110 4.5 32.5 1.0 CAE A:AO4301 4.6 39.5 1.0 HE1 A:PHE141 4.6 56.5 1.0 CZ A:PHE141 4.6 51.6 1.0 N A:GLU111 4.7 40.1 1.0 HD23 A:LEU147 4.7 52.6 1.0 N A:SER112 4.7 31.6 1.0 H A:SER112 4.7 37.9 1.0 C A:HIS109 4.8 35.6 1.0 HG23 A:VAL118 4.8 56.3 1.0 HA A:GLU111 4.8 42.8 1.0 CA A:TYR113 4.8 41.1 1.0 HAD A:AO4301 4.8 53.0 1.0 HB3 A:ASP121 4.8 51.4 1.0 CD1 A:TYR113 4.8 44.6 1.0 C A:GLU111 4.8 31.2 1.0 N A:TYR113 4.9 44.4 1.0 CB A:TYR113 5.0 43.3 1.0

B.Casu, T.Arya, B.Bessette, C.Baron. Fragment-Based Screening Identifies Novel Targets For Inhibitors of Conjugative Transfer of Antimicrobial Resistance By Plasmid PKM101. Sci Rep V. 7 14907 2017.
ISSN: ESSN 2045-2322
PubMed: 29097752
DOI: 10.1038/S41598-017-14953-1