Chlorine in PDB 1usq: Complex of E. Coli Drae Adhesin with Chloramphenicol

The structure of Complex of E. Coli Drae Adhesin with Chloramphenicol, PDB code: 1usq was solved by K.L.Anderson, J.Billington, D.Pettigrew, E.Cota, P.Roversi, P.Simpson, H.A.Chen, P.Urvil, L.Dumerle, P.Barlow, E.Medof, R.A.G.Smith, B.Nowicki, C.Le Bouguenec, S.M.Lea, S.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.0 / 1.9
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	118.969, 118.969, 57.416, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 22.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Complex of E. Coli Drae Adhesin with Chloramphenicol (pdb code 1usq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Complex of E. Coli Drae Adhesin with Chloramphenicol, PDB code: 1usq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Complex of E. Coli Drae Adhesin with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex of E. Coli Drae Adhesin with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1143 b:23.2 occ:1.00 CL1 A:CLM1143 0.0 23.2 1.0 C1 A:CLM1143 1.8 27.3 1.0 C2 A:CLM1143 2.7 28.3 1.0 O2 A:CLM1143 2.9 28.6 1.0 CL2 A:CLM1143 2.9 25.0 1.0 O A:GLY42 3.3 13.7 1.0 O A:ILE114 3.4 11.6 1.0 C A:GLY42 3.5 15.8 1.0 N A:ILE114 3.5 8.5 1.0 N A:GLY42 3.7 14.3 1.0 CE1 A:TYR115 3.7 13.1 1.0 CZ A:TYR115 3.7 16.4 1.0 CA A:GLY113 3.7 7.4 1.0 CB A:PRO40 3.7 13.6 1.0 N2 A:CLM1143 3.8 30.7 1.0 CA A:GLY42 3.9 13.6 1.0 OH A:TYR115 4.0 16.4 1.0 CA A:PRO40 4.0 11.5 1.0 C A:GLY113 4.0 10.4 1.0 N A:PRO43 4.1 13.0 1.0 C A:ILE114 4.1 11.8 1.0 CD1 A:TYR115 4.2 12.2 1.0 N A:ILE41 4.2 8.7 1.0 CE2 A:TYR115 4.2 11.7 1.0 CA A:ILE114 4.4 8.7 1.0 C A:PRO40 4.5 14.7 1.0 CA A:PRO43 4.5 12.0 1.0 CG A:TYR115 4.6 10.4 1.0 CD2 A:TYR115 4.7 11.8 1.0 C A:ILE41 4.7 16.6 1.0 CD A:PRO43 4.8 13.2 1.0

Chlorine binding site 2 out of 12 in the Complex of E. Coli Drae Adhesin with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex of E. Coli Drae Adhesin with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1143 b:25.0 occ:1.00 CL2 A:CLM1143 0.0 25.0 1.0 C1 A:CLM1143 1.8 27.3 1.0 C2 A:CLM1143 2.8 28.3 1.0 CL1 A:CLM1143 2.9 23.2 1.0 N2 A:CLM1143 3.4 30.7 1.0 O2 A:CLM1143 3.5 28.6 1.0 CB A:PRO43 3.6 13.1 1.0 CA A:GLY113 3.6 7.4 1.0 CA A:PRO43 3.8 12.0 1.0 OH A:TYR115 3.8 16.4 1.0 CG2 A:ILE111 4.0 10.5 1.0 CG2 A:THR88 4.0 12.2 1.0 N A:PRO43 4.1 13.0 1.0 C11 A:CLM1143 4.3 24.4 1.0 O A:HOH2109 4.3 43.7 1.0 N A:GLY113 4.4 7.3 1.0 C A:GLY42 4.4 15.8 1.0 O A:GLY42 4.5 13.7 1.0 C10 A:CLM1143 4.5 25.4 1.0 CZ A:TYR115 4.5 16.4 1.0 CD A:PRO43 4.6 13.2 1.0 CG A:PRO43 4.6 17.5 1.0 C6 A:CLM1143 4.6 26.3 1.0 O A:ILE112 4.7 12.1 1.0 C3 A:CLM1143 4.8 32.6 1.0 C A:ILE112 4.8 12.1 1.0 C A:GLY113 4.9 10.4 1.0 O5 A:CLM1143 5.0 33.9 1.0 C9 A:CLM1143 5.0 25.4 1.0

Chlorine binding site 3 out of 12 in the Complex of E. Coli Drae Adhesin with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Complex of E. Coli Drae Adhesin with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1143 b:22.9 occ:1.00 CL1 B:CLM1143 0.0 22.9 1.0 C1 B:CLM1143 1.8 26.4 1.0 C2 B:CLM1143 2.7 27.3 1.0 O2 B:CLM1143 2.9 27.6 1.0 CL2 B:CLM1143 3.0 24.2 1.0 O B:GLY42 3.3 14.8 1.0 O B:ILE114 3.3 11.2 1.0 C B:GLY42 3.5 15.0 1.0 N B:ILE114 3.5 8.3 1.0 N B:GLY42 3.6 12.4 1.0 CE1 B:TYR115 3.6 12.6 1.0 CZ B:TYR115 3.7 16.1 1.0 CA B:GLY113 3.7 7.5 1.0 CB B:PRO40 3.8 12.9 1.0 N2 B:CLM1143 3.8 29.5 1.0 CA B:GLY42 3.8 11.9 1.0 OH B:TYR115 4.0 14.2 1.0 C B:GLY113 4.0 10.3 1.0 C B:ILE114 4.1 11.6 1.0 N B:PRO43 4.1 11.0 1.0 CA B:PRO40 4.1 11.2 1.0 CD1 B:TYR115 4.1 12.8 1.0 N B:ILE41 4.1 9.1 1.0 CE2 B:TYR115 4.3 12.1 1.0 CA B:ILE114 4.4 8.4 1.0 C B:PRO40 4.5 14.6 1.0 CA B:PRO43 4.6 10.2 1.0 CG B:TYR115 4.6 11.0 1.0 CD2 B:TYR115 4.7 11.4 1.0 C B:ILE41 4.7 15.6 1.0 CD B:PRO43 4.8 11.5 1.0 N B:TYR115 5.0 8.2 1.0

Chlorine binding site 4 out of 12 in the Complex of E. Coli Drae Adhesin with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Complex of E. Coli Drae Adhesin with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1143 b:24.2 occ:1.00 CL2 B:CLM1143 0.0 24.2 1.0 C1 B:CLM1143 1.8 26.4 1.0 C2 B:CLM1143 2.7 27.3 1.0 CL1 B:CLM1143 3.0 22.9 1.0 N2 B:CLM1143 3.4 29.5 1.0 O2 B:CLM1143 3.4 27.6 1.0 CA B:GLY113 3.7 7.5 1.0 CB B:PRO43 3.8 11.4 1.0 OH B:TYR115 3.8 14.2 1.0 CA B:PRO43 3.9 10.2 1.0 CG2 B:THR88 4.0 11.0 1.0 CG2 B:ILE111 4.1 9.7 1.0 N B:PRO43 4.2 11.0 1.0 C11 B:CLM1143 4.2 24.4 1.0 O B:HOH2113 4.4 41.8 1.0 C10 B:CLM1143 4.4 23.6 1.0 N B:GLY113 4.4 8.1 1.0 C B:GLY42 4.5 15.0 1.0 CZ B:TYR115 4.5 16.1 1.0 O B:GLY42 4.5 14.8 1.0 C6 B:CLM1143 4.6 25.2 1.0 CD B:PRO43 4.6 11.5 1.0 CG B:PRO43 4.7 16.4 1.0 C3 B:CLM1143 4.7 32.3 1.0 O B:ILE112 4.8 11.2 1.0 C B:GLY113 4.9 10.3 1.0 C B:ILE112 4.9 10.8 1.0 O B:HOH2094 4.9 17.9 1.0 C9 B:CLM1143 4.9 24.4 1.0 O5 B:CLM1143 5.0 33.3 1.0

Chlorine binding site 5 out of 12 in the Complex of E. Coli Drae Adhesin with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Complex of E. Coli Drae Adhesin with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1143 b:24.1 occ:1.00 CL1 C:CLM1143 0.0 24.1 1.0 C1 C:CLM1143 1.8 28.8 1.0 C2 C:CLM1143 2.7 30.0 1.0 O2 C:CLM1143 2.9 30.3 1.0 CL2 C:CLM1143 2.9 27.2 1.0 O C:ILE114 3.3 14.0 1.0 O C:GLY42 3.3 16.9 1.0 C C:GLY42 3.5 17.8 1.0 N C:GLY42 3.6 15.4 1.0 CB C:PRO40 3.6 15.4 1.0 N C:ILE114 3.6 10.2 1.0 CE1 C:TYR115 3.7 15.6 1.0 CA C:GLY42 3.8 15.3 1.0 CZ C:TYR115 3.8 17.9 1.0 N2 C:CLM1143 3.8 31.9 1.0 CA C:GLY113 3.9 8.2 1.0 CA C:PRO40 4.0 14.0 1.0 N C:ILE41 4.0 11.0 1.0 OH C:TYR115 4.1 17.4 1.0 C C:ILE114 4.1 13.2 1.0 CD1 C:TYR115 4.1 14.9 1.0 C C:GLY113 4.2 12.0 1.0 N C:PRO43 4.2 13.8 1.0 CE2 C:TYR115 4.3 13.6 1.0 C C:PRO40 4.4 15.5 1.0 CA C:ILE114 4.5 9.0 1.0 C C:ILE41 4.6 17.8 1.0 CG C:TYR115 4.7 13.0 1.0 CA C:PRO43 4.7 12.8 1.0 CD2 C:TYR115 4.7 13.3 1.0 CD C:PRO43 4.9 13.6 1.0 CA C:ILE41 5.0 11.3 1.0

Chlorine binding site 6 out of 12 in the Complex of E. Coli Drae Adhesin with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Complex of E. Coli Drae Adhesin with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1143 b:27.2 occ:1.00 CL2 C:CLM1143 0.0 27.2 1.0 C1 C:CLM1143 1.8 28.8 1.0 C2 C:CLM1143 2.7 30.0 1.0 CL1 C:CLM1143 2.9 24.1 1.0 N2 C:CLM1143 3.3 31.9 1.0 O2 C:CLM1143 3.5 30.3 1.0 CA C:GLY113 3.7 8.2 1.0 CB C:PRO43 3.7 14.4 1.0 CA C:PRO43 3.9 12.8 1.0 OH C:TYR115 3.9 17.4 1.0 CG2 C:THR88 4.1 13.2 1.0 N C:PRO43 4.1 13.8 1.0 C11 C:CLM1143 4.1 26.7 1.0 CG2 C:ILE111 4.2 11.7 1.0 O C:HOH2114 4.3 43.6 1.0 C C:GLY42 4.3 17.8 1.0 O C:GLY42 4.4 16.9 1.0 C10 C:CLM1143 4.4 26.4 1.0 N C:GLY113 4.5 9.1 1.0 C6 C:CLM1143 4.5 27.9 1.0 CD C:PRO43 4.5 13.6 1.0 CG C:PRO43 4.6 18.8 1.0 CZ C:TYR115 4.6 17.9 1.0 C3 C:CLM1143 4.7 33.5 1.0 O5 C:CLM1143 4.9 35.4 1.0 O C:ILE112 4.9 14.2 1.0 C C:GLY113 4.9 12.0 1.0 C5 C:CLM1143 5.0 32.5 1.0 C9 C:CLM1143 5.0 26.6 1.0 C C:ILE112 5.0 13.9 1.0

Chlorine binding site 7 out of 12 in the Complex of E. Coli Drae Adhesin with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Complex of E. Coli Drae Adhesin with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1142 b:23.1 occ:1.00 CL1 D:CLM1142 0.0 23.1 1.0 C1 D:CLM1142 1.8 28.0 1.0 C2 D:CLM1142 2.7 29.1 1.0 O2 D:CLM1142 2.8 28.7 1.0 CL2 D:CLM1142 2.9 27.5 1.0 O D:GLY42 3.2 16.4 1.0 O D:ILE114 3.2 14.2 1.0 C D:GLY42 3.4 16.4 1.0 N D:ILE114 3.6 8.8 1.0 CE1 D:TYR115 3.6 13.3 1.0 N D:GLY42 3.6 14.8 1.0 CB D:PRO40 3.7 14.6 1.0 N2 D:CLM1142 3.8 31.3 1.0 CA D:GLY113 3.8 7.4 1.0 CA D:GLY42 3.8 14.3 1.0 CZ D:TYR115 3.8 16.6 1.0 CA D:PRO40 4.0 12.9 1.0 N D:ILE41 4.1 10.4 1.0 N D:PRO43 4.1 13.3 1.0 CD1 D:TYR115 4.1 13.4 1.0 C D:ILE114 4.1 13.0 1.0 C D:GLY113 4.1 11.5 1.0 OH D:TYR115 4.1 16.1 1.0 C D:PRO40 4.4 15.2 1.0 CA D:ILE114 4.4 9.2 1.0 CE2 D:TYR115 4.5 12.9 1.0 CA D:PRO43 4.5 12.1 1.0 C D:ILE41 4.6 17.3 1.0 CD D:PRO43 4.7 13.6 1.0 CG D:TYR115 4.7 12.0 1.0 CD2 D:TYR115 4.8 12.5 1.0 CA D:ILE41 4.9 10.0 1.0

Chlorine binding site 8 out of 12 in the Complex of E. Coli Drae Adhesin with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Complex of E. Coli Drae Adhesin with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1142 b:27.5 occ:1.00 CL2 D:CLM1142 0.0 27.5 1.0 C1 D:CLM1142 1.8 28.0 1.0 C2 D:CLM1142 2.7 29.1 1.0 CL1 D:CLM1142 2.9 23.1 1.0 N2 D:CLM1142 3.3 31.3 1.0 O2 D:CLM1142 3.5 28.7 1.0 CA D:GLY113 3.6 7.4 1.0 CB D:PRO43 3.7 13.5 1.0 OH D:TYR115 3.8 16.1 1.0 CA D:PRO43 3.8 12.1 1.0 CG2 D:THR88 4.1 12.0 1.0 CG2 D:ILE111 4.1 11.4 1.0 N D:PRO43 4.1 13.3 1.0 O D:HOH2129 4.2 42.7 1.0 C11 D:CLM1142 4.3 25.5 1.0 C D:GLY42 4.4 16.4 1.0 N D:GLY113 4.4 7.3 1.0 O D:GLY42 4.4 16.4 1.0 CD D:PRO43 4.5 13.6 1.0 CZ D:TYR115 4.5 16.6 1.0 C10 D:CLM1142 4.5 25.7 1.0 C6 D:CLM1142 4.6 26.4 1.0 CG D:PRO43 4.6 18.4 1.0 C3 D:CLM1142 4.7 33.3 1.0 O D:ILE112 4.8 11.0 1.0 C D:GLY113 4.8 11.5 1.0 CE1 D:TYR115 4.9 13.3 1.0 C D:ILE112 4.9 12.3 1.0 N D:ILE114 5.0 8.8 1.0 O5 D:CLM1142 5.0 34.8 1.0

Chlorine binding site 9 out of 12 in the Complex of E. Coli Drae Adhesin with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Complex of E. Coli Drae Adhesin with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1143 b:21.0 occ:1.00 CL1 E:CLM1143 0.0 21.0 1.0 C1 E:CLM1143 1.8 26.8 1.0 C2 E:CLM1143 2.7 29.2 1.0 O2 E:CLM1143 2.9 28.2 1.0 CL2 E:CLM1143 2.9 23.5 1.0 O E:ILE114 3.3 12.1 1.0 O E:GLY42 3.4 16.0 1.0 C E:GLY42 3.5 17.2 1.0 N E:ILE114 3.5 9.5 1.0 CE1 E:TYR115 3.5 13.6 1.0 CZ E:TYR115 3.7 16.5 1.0 CA E:GLY113 3.7 7.5 1.0 N E:GLY42 3.8 14.7 1.0 CB E:PRO40 3.8 15.0 1.0 N2 E:CLM1143 3.8 31.5 1.0 OH E:TYR115 3.9 15.5 1.0 CA E:GLY42 4.0 14.6 1.0 C E:GLY113 4.0 11.5 1.0 CD1 E:TYR115 4.1 13.9 1.0 CA E:PRO40 4.1 12.9 1.0 C E:ILE114 4.1 12.7 1.0 N E:PRO43 4.1 13.5 1.0 CE2 E:TYR115 4.2 13.4 1.0 N E:ILE41 4.2 10.5 1.0 CA E:ILE114 4.5 9.1 1.0 C E:PRO40 4.5 15.8 1.0 CA E:PRO43 4.6 12.3 1.0 CG E:TYR115 4.6 12.1 1.0 CD2 E:TYR115 4.7 12.7 1.0 CD E:PRO43 4.7 14.0 1.0 C E:ILE41 4.8 17.2 1.0

Chlorine binding site 10 out of 12 in the Complex of E. Coli Drae Adhesin with Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Complex of E. Coli Drae Adhesin with Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1143 b:23.5 occ:1.00 CL2 E:CLM1143 0.0 23.5 1.0 C1 E:CLM1143 1.8 26.8 1.0 C2 E:CLM1143 2.8 29.2 1.0 CL1 E:CLM1143 2.9 21.0 1.0 O2 E:CLM1143 3.5 28.2 1.0 N2 E:CLM1143 3.5 31.5 1.0 CA E:GLY113 3.6 7.5 1.0 CB E:PRO43 3.6 14.2 1.0 CA E:PRO43 3.8 12.3 1.0 CG2 E:ILE111 3.8 12.3 1.0 OH E:TYR115 3.9 15.5 1.0 CG2 E:THR88 4.0 13.0 1.0 N E:PRO43 4.1 13.5 1.0 O E:HOH2101 4.2 43.8 1.0 N E:GLY113 4.3 7.5 1.0 C11 E:CLM1143 4.3 25.4 1.0 C E:GLY42 4.4 17.2 1.0 CD E:PRO43 4.4 14.0 1.0 O E:GLY42 4.5 16.0 1.0 C10 E:CLM1143 4.5 24.9 1.0 CG E:PRO43 4.5 18.7 1.0 CZ E:TYR115 4.6 16.5 1.0 C6 E:CLM1143 4.6 26.2 1.0 O E:ILE112 4.8 12.1 1.0 C E:GLY113 4.8 11.5 1.0 C3 E:CLM1143 4.8 33.1 1.0 C E:ILE112 4.9 11.9 1.0 C9 E:CLM1143 4.9 26.0 1.0 N E:ILE114 5.0 9.5 1.0

D.Pettigrew, K.L.Anderson, J.Billington, E.Cota, P.Simpson, P.Urvil, F.Rabuzin, P.Roversi, B.Nowicki, L.Du Merle, C.Le Bouguenec, S.Matthews, S.M.Lea. High Resolution Studies of the Afa/Dr Adhesin Drae and Its Interaction with Chloramphenicol J.Biol.Chem. V. 279 46851 2004.
ISSN: ISSN 0021-9258
PubMed: 15331605
DOI: 10.1074/JBC.M409284200