Chlorine in PDB 2jkj: Drae Adhesin in Complex with Chloramphenicol Succinate

The structure of Drae Adhesin in Complex with Chloramphenicol Succinate, PDB code: 2jkj 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)	25.00 / 2.30
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	119.600, 119.600, 57.700, 90.00, 90.00, 120.00
R / Rfree (%)	24.9 / 27.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Drae Adhesin in Complex with Chloramphenicol Succinate (pdb code 2jkj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Drae Adhesin in Complex with Chloramphenicol Succinate, PDB code: 2jkj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in the Drae Adhesin in Complex with Chloramphenicol Succinate


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1141 b:25.4 occ:1.00 CL1 A:CLM1141 0.0 25.4 1.0 C1 A:CLM1141 1.8 27.2 1.0 C2 A:CLM1141 2.7 29.9 1.0 O2 A:CLM1141 2.9 29.9 1.0 CL2 A:CLM1141 2.9 26.4 1.0 O A:GLY42 3.2 14.6 1.0 N A:ILE114 3.4 7.0 1.0 O A:ILE114 3.4 9.4 1.0 C A:GLY42 3.5 15.1 1.0 CA A:GLY113 3.6 6.5 1.0 N A:GLY42 3.7 12.0 1.0 CE1 A:TYR115 3.8 9.2 1.0 N2 A:CLM1141 3.9 32.8 1.0 C A:GLY113 3.9 10.3 1.0 CZ A:TYR115 3.9 15.5 1.0 CB A:PRO40 4.0 13.4 1.0 CA A:GLY42 4.0 11.7 1.0 N A:PRO43 4.1 11.4 1.0 C A:ILE114 4.1 10.0 1.0 OH A:TYR115 4.1 16.3 1.0 N A:ILE41 4.2 11.5 1.0 CD1 A:TYR115 4.3 9.1 1.0 CA A:PRO40 4.3 11.7 1.0 CA A:ILE114 4.3 6.6 1.0 CA A:PRO43 4.4 11.0 1.0 CE2 A:TYR115 4.4 8.6 1.0 C A:PRO40 4.6 15.1 1.0 CD A:PRO43 4.7 13.0 1.0 CG A:TYR115 4.8 7.4 1.0 C A:ILE41 4.8 15.3 1.0 CD2 A:TYR115 4.8 7.9 1.0 CB A:PRO43 5.0 12.8 1.0 N A:GLY113 5.0 7.0 1.0

Chlorine binding site 2 out of 16 in the Drae Adhesin in Complex with Chloramphenicol Succinate


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1141 b:26.4 occ:1.00 CL2 A:CLM1141 0.0 26.4 1.0 C1 A:CLM1141 1.8 27.2 1.0 C2 A:CLM1141 2.8 29.9 1.0 CL1 A:CLM1141 2.9 25.4 1.0 N2 A:CLM1141 3.3 32.8 1.0 CB A:PRO43 3.5 12.8 1.0 O2 A:CLM1141 3.5 29.9 1.0 CA A:GLY113 3.7 6.5 1.0 CA A:PRO43 3.8 11.0 1.0 CG2 A:ILE111 4.1 11.0 1.0 OH A:TYR115 4.1 16.3 1.0 CG2 A:THR88 4.1 15.8 1.0 N A:PRO43 4.2 11.4 1.0 C11 A:CLM1141 4.3 35.7 1.0 C10 A:CLM1141 4.4 35.6 1.0 CG A:PRO43 4.4 17.4 1.0 N A:GLY113 4.4 7.0 1.0 CD A:PRO43 4.5 13.0 1.0 C6 A:CLM1141 4.5 35.7 1.0 C A:GLY42 4.5 15.1 1.0 O A:GLY42 4.6 14.6 1.0 C3 A:CLM1141 4.7 35.1 1.0 C9 A:CLM1141 4.7 35.6 1.0 CZ A:TYR115 4.8 15.5 1.0 O A:ILE112 4.8 10.7 1.0 C7 A:CLM1141 4.9 35.6 1.0 C A:ILE112 4.9 10.9 1.0 C A:GLY113 4.9 10.3 1.0 C8 A:CLM1141 5.0 35.5 1.0

Chlorine binding site 3 out of 16 in the Drae Adhesin in Complex with Chloramphenicol Succinate


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1141 b:19.1 occ:1.00 CL1 B:CLM1141 0.0 19.1 1.0 C1 B:CLM1141 1.8 22.8 1.0 C2 B:CLM1141 2.7 27.2 1.0 CL2 B:CLM1141 3.0 22.5 1.0 O2 B:CLM1141 3.0 27.5 1.0 O B:GLY42 3.3 11.4 1.0 O B:ILE114 3.4 6.7 1.0 C B:GLY42 3.5 12.1 1.0 N B:ILE114 3.6 3.8 1.0 N B:GLY42 3.6 8.9 1.0 CB B:PRO40 3.8 10.5 1.0 CE1 B:TYR115 3.8 6.5 1.0 N2 B:CLM1141 3.8 31.5 1.0 CA B:GLY113 3.9 3.6 1.0 CA B:GLY42 3.9 8.7 1.0 N B:ILE41 4.0 8.7 1.0 CZ B:TYR115 4.0 12.7 1.0 CA B:PRO40 4.1 8.8 1.0 N B:PRO43 4.1 8.5 1.0 C B:GLY113 4.1 7.2 1.0 C B:ILE114 4.2 7.2 1.0 CD1 B:TYR115 4.2 6.2 1.0 OH B:TYR115 4.3 12.7 1.0 C B:PRO40 4.4 12.3 1.0 CA B:ILE114 4.5 3.6 1.0 CA B:PRO43 4.6 8.1 1.0 CE2 B:TYR115 4.6 5.8 1.0 C B:ILE41 4.6 12.4 1.0 CD B:PRO43 4.6 10.1 1.0 CG B:TYR115 4.8 4.5 1.0 CA B:ILE41 4.9 8.5 1.0 CD2 B:TYR115 4.9 5.0 1.0

Chlorine binding site 4 out of 16 in the Drae Adhesin in Complex with Chloramphenicol Succinate


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1141 b:22.5 occ:1.00 CL2 B:CLM1141 0.0 22.5 1.0 C1 B:CLM1141 1.8 22.8 1.0 C2 B:CLM1141 2.8 27.2 1.0 CL1 B:CLM1141 3.0 19.1 1.0 N2 B:CLM1141 3.4 31.5 1.0 O2 B:CLM1141 3.5 27.5 1.0 CB B:PRO43 3.5 9.8 1.0 CA B:PRO43 3.8 8.1 1.0 CA B:GLY113 3.8 3.6 1.0 N B:PRO43 4.1 8.5 1.0 OH B:TYR115 4.2 12.7 1.0 C11 B:CLM1141 4.2 36.3 1.0 CG2 B:ILE111 4.3 8.0 1.0 C10 B:CLM1141 4.3 36.7 1.0 CG B:PRO43 4.3 14.4 1.0 CD B:PRO43 4.3 10.1 1.0 CG2 B:THR88 4.3 12.8 1.0 O B:HOH2025 4.4 17.6 1.0 C B:GLY42 4.4 12.1 1.0 O B:GLY42 4.5 11.4 1.0 C6 B:CLM1141 4.5 36.0 1.0 N B:GLY113 4.6 4.1 1.0 C9 B:CLM1141 4.6 36.9 1.0 C3 B:CLM1141 4.7 34.6 1.0 CZ B:TYR115 4.8 12.7 1.0 C7 B:CLM1141 4.9 36.3 1.0 C8 B:CLM1141 4.9 36.4 1.0

Chlorine binding site 5 out of 16 in the Drae Adhesin in Complex with Chloramphenicol Succinate


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1142 b:27.6 occ:1.00 CL1 B:TH81142 0.0 27.6 1.0 C1 B:TH81142 1.8 27.5 1.0 C2 B:TH81142 2.8 27.8 1.0 CL2 B:TH81142 2.9 27.1 1.0 N2 B:TH81142 3.4 28.9 1.0 O2 B:TH81142 3.5 27.1 1.0 O B:GLY33 3.7 11.5 1.0 C10 B:TH81142 3.8 36.6 1.0 C11 B:TH81142 3.9 35.4 1.0 C12 B:TH81142 3.9 39.6 1.0 C9 B:TH81142 4.0 37.8 1.0 CG1 C:VAL105 4.0 13.2 1.0 C6 B:TH81142 4.2 34.1 1.0 C8 B:TH81142 4.3 36.6 1.0 CA B:GLY33 4.4 8.4 1.0 C7 B:TH81142 4.4 35.3 1.0 C B:GLY33 4.5 12.0 1.0 C3 B:TH81142 4.6 29.9 1.0 CG2 C:VAL105 4.8 13.2 1.0 S12 B:TH81142 4.8 39.8 1.0 CG2 B:THR121 4.9 16.4 1.0 C5 B:TH81142 5.0 31.5 1.0

Chlorine binding site 6 out of 16 in the Drae Adhesin in Complex with Chloramphenicol Succinate


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1142 b:27.1 occ:1.00 CL2 B:TH81142 0.0 27.1 1.0 C1 B:TH81142 1.8 27.5 1.0 C2 B:TH81142 2.8 27.8 1.0 CL1 B:TH81142 2.9 27.6 1.0 O2 B:TH81142 3.0 27.1 1.0 NE2 C:GLN55 3.6 15.3 1.0 CD C:GLN55 3.6 26.4 1.0 O C:ASN103 3.7 11.9 1.0 CG2 B:THR36 3.8 12.3 1.0 N2 B:TH81142 3.9 28.9 1.0 CG C:GLN55 3.9 15.6 1.0 CG1 C:VAL105 4.0 13.2 1.0 CA C:ASP104 4.0 9.5 1.0 OE1 C:GLN55 4.1 21.0 1.0 N C:VAL105 4.2 10.3 1.0 O B:HOH2026 4.3 3.9 1.0 C C:ASP104 4.5 13.6 1.0 NE2 B:GLN119 4.5 32.5 1.0 C C:ASN103 4.6 12.4 1.0 O B:GLY33 4.7 11.5 1.0 N C:ASP104 4.8 9.3 1.0 CG2 B:THR121 4.8 16.4 1.0 CB C:ASP104 4.8 11.2 1.0

Chlorine binding site 7 out of 16 in the Drae Adhesin in Complex with Chloramphenicol Succinate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Drae Adhesin in Complex with Chloramphenicol Succinate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1141 b:34.8 occ:1.00 CL1 C:CLM1141 0.0 34.8 1.0 C1 C:CLM1141 1.8 35.8 1.0 C2 C:CLM1141 2.7 37.0 1.0 O2 C:CLM1141 2.9 36.6 1.0 CL2 C:CLM1141 2.9 35.7 1.0 O C:GLY42 3.3 14.5 1.0 C C:GLY42 3.5 15.2 1.0 O C:ILE114 3.5 9.4 1.0 N C:GLY42 3.5 12.3 1.0 N C:ILE114 3.7 6.9 1.0 CB C:PRO40 3.7 13.7 1.0 CA C:GLY42 3.8 12.0 1.0 N2 C:CLM1141 3.9 39.2 1.0 CE1 C:TYR115 3.9 9.4 1.0 CA C:GLY113 4.0 6.5 1.0 N C:ILE41 4.0 11.7 1.0 N C:PRO43 4.1 11.5 1.0 CA C:PRO40 4.1 11.9 1.0 CZ C:TYR115 4.1 15.7 1.0 C C:GLY113 4.3 10.1 1.0 C C:ILE114 4.3 10.0 1.0 CD1 C:TYR115 4.3 9.1 1.0 OH C:TYR115 4.4 16.2 1.0 C C:PRO40 4.4 15.3 1.0 CA C:PRO43 4.5 11.1 1.0 CD C:PRO43 4.5 12.9 1.0 C C:ILE41 4.6 15.8 1.0 CA C:ILE114 4.6 6.7 1.0 CE2 C:TYR115 4.7 8.9 1.0 CA C:ILE41 4.9 11.6 1.0 CG C:TYR115 4.9 7.5 1.0

Chlorine binding site 8 out of 16 in the Drae Adhesin in Complex with Chloramphenicol Succinate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Drae Adhesin in Complex with Chloramphenicol Succinate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1141 b:35.7 occ:1.00 CL2 C:CLM1141 0.0 35.7 1.0 C1 C:CLM1141 1.8 35.8 1.0 C2 C:CLM1141 2.8 37.0 1.0 CL1 C:CLM1141 2.9 34.8 1.0 N2 C:CLM1141 3.4 39.2 1.0 CB C:PRO43 3.5 12.9 1.0 O2 C:CLM1141 3.5 36.6 1.0 CA C:GLY113 3.6 6.5 1.0 CA C:PRO43 3.8 11.1 1.0 OH C:TYR115 4.1 16.2 1.0 N C:PRO43 4.1 11.5 1.0 CG2 C:ILE111 4.2 10.8 1.0 CG2 C:THR88 4.2 15.7 1.0 N C:GLY113 4.4 7.0 1.0 CG C:PRO43 4.4 17.4 1.0 CD C:PRO43 4.4 12.9 1.0 O C:GLY42 4.4 14.5 1.0 C C:GLY42 4.4 15.2 1.0 C11 C:CLM1141 4.5 41.4 1.0 C10 C:CLM1141 4.6 41.7 1.0 C6 C:CLM1141 4.6 41.2 1.0 C3 C:CLM1141 4.7 40.9 1.0 CZ C:TYR115 4.7 15.7 1.0 O C:ILE112 4.8 11.0 1.0 C C:GLY113 4.8 10.1 1.0 C9 C:CLM1141 4.9 41.9 1.0 C C:ILE112 4.9 11.1 1.0 C7 C:CLM1141 4.9 41.2 1.0 N C:ILE114 5.0 6.9 1.0

Chlorine binding site 9 out of 16 in the Drae Adhesin in Complex with Chloramphenicol Succinate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Drae Adhesin in Complex with Chloramphenicol Succinate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1142 b:20.4 occ:1.00 CL1 D:CLM1142 0.0 20.4 1.0 C1 D:CLM1142 1.8 22.4 1.0 C2 D:CLM1142 2.7 24.9 1.0 O2 D:CLM1142 2.8 26.1 1.0 CL2 D:CLM1142 2.9 22.1 1.0 O D:ILE114 3.4 8.4 1.0 O D:GLY42 3.4 13.3 1.0 N D:ILE114 3.5 5.9 1.0 CE1 D:TYR115 3.6 8.4 1.0 C D:GLY42 3.7 13.9 1.0 CB D:PRO40 3.7 12.3 1.0 CZ D:TYR115 3.8 14.5 1.0 CA D:GLY113 3.8 5.4 1.0 N D:GLY42 3.8 10.8 1.0 N2 D:CLM1142 3.9 26.4 1.0 CD1 D:TYR115 4.0 8.0 1.0 C D:GLY113 4.0 9.1 1.0 CA D:PRO40 4.0 10.5 1.0 C D:ILE114 4.1 8.9 1.0 OH D:TYR115 4.1 15.0 1.0 N D:ILE41 4.1 10.4 1.0 CA D:GLY42 4.2 10.5 1.0 N D:PRO43 4.3 10.3 1.0 CE2 D:TYR115 4.3 7.5 1.0 CA D:ILE114 4.4 5.6 1.0 C D:PRO40 4.4 13.9 1.0 CG D:TYR115 4.6 6.3 1.0 CD2 D:TYR115 4.7 6.8 1.0 CA D:PRO43 4.7 10.0 1.0 C D:ILE41 4.8 14.4 1.0 CD D:PRO43 4.9 11.9 1.0

Chlorine binding site 10 out of 16 in the Drae Adhesin in Complex with Chloramphenicol Succinate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Drae Adhesin in Complex with Chloramphenicol Succinate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1142 b:22.1 occ:1.00 CL2 D:CLM1142 0.0 22.1 1.0 C1 D:CLM1142 1.8 22.4 1.0 C2 D:CLM1142 2.8 24.9 1.0 CL1 D:CLM1142 2.9 20.4 1.0 N2 D:CLM1142 3.2 26.4 1.0 CA D:GLY113 3.7 5.4 1.0 CB D:PRO43 3.7 11.8 1.0 O2 D:CLM1142 3.7 26.1 1.0 CA D:PRO43 3.9 10.0 1.0 OH D:TYR115 4.0 15.0 1.0 CG2 D:THR88 4.2 14.5 1.0 CG2 D:ILE111 4.2 10.1 1.0 N D:PRO43 4.3 10.3 1.0 N D:GLY113 4.4 5.9 1.0 C11 D:CLM1142 4.5 26.2 1.0 O D:GLY42 4.5 13.3 1.0 C3 D:CLM1142 4.5 27.4 1.0 CG D:PRO43 4.6 16.3 1.0 C D:GLY42 4.6 13.9 1.0 CD D:PRO43 4.6 11.9 1.0 CZ D:TYR115 4.6 14.5 1.0 C6 D:CLM1142 4.7 26.4 1.0 C10 D:CLM1142 4.7 25.9 1.0 C D:GLY113 4.9 9.1 1.0 O D:ILE112 5.0 9.5 1.0 C D:ILE112 5.0 9.9 1.0 N D:ILE114 5.0 5.9 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