Chlorine in PDB 2w5p: Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form)

The structure of Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form), PDB code: 2w5p was solved by D.M.Pettigrew, P.Roversi, S.G.Davies, A.J.Russell, S.M.Lea, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.941, 68.553, 62.061, 90.00, 111.17, 90.00
R / Rfree (%)	19.3 / 23.7

The binding sites of Chlorine atom in the Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form) (pdb code 2w5p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form), PDB code: 2w5p:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl143 b:26.9 occ:1.00 CL1 A:CL8143 0.0 26.9 1.0 C1 A:CL8143 1.8 30.2 1.0 C2 A:CL8143 2.7 36.5 1.0 CL2 A:CL8143 3.0 31.9 1.0 O2 A:CL8143 3.1 37.6 1.0 O A:GLY42 3.3 24.9 1.0 O A:ILE114 3.4 18.5 1.0 N2 A:CL8143 3.5 39.3 1.0 N A:ILE114 3.5 15.4 1.0 CB A:PRO40 3.6 22.6 1.0 CA A:GLY113 3.7 15.3 1.0 C A:GLY42 3.7 25.5 1.0 N A:GLY42 3.7 24.5 1.0 CE1 A:TYR115 3.7 17.6 1.0 CZ A:TYR115 3.7 19.3 1.0 OH A:TYR115 3.9 18.4 1.0 CA A:GLY42 4.0 24.4 1.0 C A:GLY113 4.0 15.6 1.0 CA A:PRO40 4.0 20.8 1.0 C A:ILE114 4.1 19.0 1.0 N A:ILE41 4.1 20.2 1.0 CD1 A:TYR115 4.2 19.4 1.0 CE2 A:TYR115 4.3 18.7 1.0 N A:PRO43 4.4 22.2 1.0 C A:PRO40 4.4 22.0 1.0 CA A:ILE114 4.5 17.5 1.0 C A:ILE41 4.7 28.2 1.0 CG A:TYR115 4.7 17.9 1.0 CD2 A:TYR115 4.8 18.1 1.0 CA A:PRO43 4.8 21.1 1.0

Chlorine binding site 2 out of 6 in the Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl143 b:31.9 occ:1.00 CL2 A:CL8143 0.0 31.9 1.0 C1 A:CL8143 1.8 30.2 1.0 C2 A:CL8143 2.8 36.5 1.0 CL1 A:CL8143 3.0 26.9 1.0 O2 A:CL8143 3.2 37.6 1.0 CA A:GLY113 3.6 15.3 1.0 CB A:PRO43 3.7 24.3 1.0 N2 A:CL8143 3.7 39.3 1.0 CG2 A:ILE111 3.8 14.7 1.0 CG2 A:THR88 3.9 19.4 1.0 CA A:PRO43 4.0 21.1 1.0 OH A:TYR115 4.1 18.4 1.0 N A:PRO43 4.3 22.2 1.0 O A:GLY42 4.3 24.9 1.0 N A:GLY113 4.3 16.3 1.0 C A:GLY42 4.4 25.5 1.0 CG A:PRO43 4.7 29.9 1.0 CZ A:TYR115 4.8 19.3 1.0 CD A:PRO43 4.8 26.1 1.0 C A:GLY113 4.9 15.6 1.0 O A:ILE112 5.0 18.6 1.0 C A:ILE112 5.0 20.7 1.0

Chlorine binding site 3 out of 6 in the Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl143 b:25.5 occ:1.00 CL1 B:CL8143 0.0 25.5 1.0 C1 B:CL8143 1.8 29.0 1.0 C2 B:CL8143 2.6 36.0 1.0 O2 B:CL8143 2.9 38.8 1.0 CL2 B:CL8143 3.0 32.0 1.0 O B:ILE114 3.4 18.2 1.0 O B:GLY42 3.4 27.4 1.0 N B:ILE114 3.6 15.2 1.0 N2 B:CL8143 3.6 39.9 1.0 CB B:PRO40 3.6 23.3 1.0 N B:GLY42 3.7 22.5 1.0 CA B:GLY113 3.7 16.5 1.0 C B:GLY42 3.7 25.8 1.0 CE1 B:TYR115 3.8 18.3 1.0 CZ B:TYR115 3.8 20.7 1.0 OH B:TYR115 3.9 21.4 1.0 CA B:PRO40 4.0 21.4 1.0 C B:GLY113 4.0 17.8 1.0 CA B:GLY42 4.0 23.2 1.0 N B:ILE41 4.1 17.4 1.0 C B:ILE114 4.1 17.6 1.0 CD1 B:TYR115 4.3 16.6 1.0 CE2 B:TYR115 4.3 17.9 1.0 N B:PRO43 4.4 22.3 1.0 C B:PRO40 4.4 21.3 1.0 CA B:ILE114 4.5 15.6 1.0 C B:ILE41 4.7 26.3 1.0 CG B:TYR115 4.8 16.1 1.0 CD2 B:TYR115 4.8 16.7 1.0 CA B:PRO43 4.8 21.3 1.0

Chlorine binding site 4 out of 6 in the Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl143 b:32.0 occ:1.00 CL2 B:CL8143 0.0 32.0 1.0 C1 B:CL8143 1.8 29.0 1.0 C2 B:CL8143 2.7 36.0 1.0 CL1 B:CL8143 3.0 25.5 1.0 O2 B:CL8143 3.3 38.8 1.0 CA B:GLY113 3.6 16.5 1.0 N2 B:CL8143 3.6 39.9 1.0 CB B:PRO43 3.7 22.7 1.0 CG2 B:ILE111 3.7 16.5 1.0 CA B:PRO43 3.9 21.3 1.0 CG2 B:THR88 3.9 15.7 1.0 OH B:TYR115 4.1 21.4 1.0 N B:PRO43 4.2 22.3 1.0 N B:GLY113 4.3 16.9 1.0 O B:GLY42 4.4 27.4 1.0 C B:GLY42 4.4 25.8 1.0 CG B:PRO43 4.6 26.7 1.0 CZ B:TYR115 4.8 20.7 1.0 C B:GLY113 4.8 17.8 1.0 CD B:PRO43 4.9 22.8 1.0 C B:ILE112 5.0 20.4 1.0 O B:ILE112 5.0 16.9 1.0

Chlorine binding site 5 out of 6 in the Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl143 b:28.6 occ:1.00 CL1 C:CL8143 0.0 28.6 1.0 C1 C:CL8143 1.8 33.2 1.0 C2 C:CL8143 2.6 35.5 1.0 O2 C:CL8143 2.9 36.8 1.0 CL2 C:CL8143 3.0 36.0 1.0 O C:GLY42 3.3 28.9 1.0 O C:ILE114 3.4 20.3 1.0 N C:ILE114 3.5 15.0 1.0 N2 C:CL8143 3.7 39.7 1.0 CB C:PRO40 3.7 22.2 1.0 C C:GLY42 3.7 28.7 1.0 CZ C:TYR115 3.7 24.4 1.0 N C:GLY42 3.7 24.7 1.0 CA C:GLY113 3.8 16.4 1.0 CE1 C:TYR115 3.8 20.7 1.0 OH C:TYR115 4.0 20.6 1.0 CA C:PRO40 4.0 19.5 1.0 CA C:GLY42 4.0 25.4 1.0 N C:ILE41 4.1 19.5 1.0 C C:GLY113 4.1 17.8 1.0 C C:ILE114 4.1 20.3 1.0 CE2 C:TYR115 4.2 20.6 1.0 CD1 C:TYR115 4.3 22.0 1.0 N C:PRO43 4.4 26.1 1.0 CA C:ILE114 4.4 16.6 1.0 C C:PRO40 4.5 22.1 1.0 C C:ILE41 4.7 29.1 1.0 CA C:PRO43 4.7 25.5 1.0 CD2 C:TYR115 4.8 19.3 1.0 CG C:TYR115 4.8 19.6 1.0

Chlorine binding site 6 out of 6 in the Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Drae Adhesin in Complex with Chloramphenicol Succinate ( Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl143 b:36.0 occ:1.00 CL2 C:CL8143 0.0 36.0 1.0 C1 C:CL8143 1.8 33.2 1.0 C2 C:CL8143 2.7 35.5 1.0 CL1 C:CL8143 3.0 28.6 1.0 O2 C:CL8143 3.2 36.8 1.0 N2 C:CL8143 3.5 39.7 1.0 CB C:PRO43 3.6 27.2 1.0 CA C:GLY113 3.7 16.4 1.0 CG2 C:ILE111 3.9 26.1 1.0 CG2 C:THR88 3.9 20.6 1.0 CA C:PRO43 4.0 25.5 1.0 OH C:TYR115 4.0 20.6 1.0 N C:PRO43 4.3 26.1 1.0 O C:GLY42 4.4 28.9 1.0 N C:GLY113 4.4 15.7 1.0 C C:GLY42 4.5 28.7 1.0 CG C:PRO43 4.6 31.5 1.0 CZ C:TYR115 4.7 24.4 1.0 CD C:PRO43 4.8 28.4 1.0 C C:GLY113 4.9 17.8 1.0 O C:ILE112 5.0 19.4 1.0

D.M.Pettigrew, P.Roversi, S.G.Davies, A.J.Russell, S.M.Lea. A Structural Study of the Interaction Between the Dr Haemagglutinin Drae and Derivatives of Chloramphenicol Acta Crystallogr.,Sect.D V. 65 513 2009.
ISSN: ISSN 0907-4449
PubMed: 19465765
DOI: 10.1107/S0907444909005113