Chlorine in PDB 2uxp: Ttgr in Complex Chloramphenicol

The structure of Ttgr in Complex Chloramphenicol, PDB code: 2uxp was solved by Y.Alguel, C.Meng, W.Teran, T.Krell, J.L.Ramos, M.-T.Gallegos, X.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.55 / 2.7
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	46.457, 230.673, 44.006, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 29.6

The binding sites of Chlorine atom in the Ttgr in Complex Chloramphenicol (pdb code 2uxp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ttgr in Complex Chloramphenicol, PDB code: 2uxp:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Ttgr in Complex Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ttgr in Complex Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1211 b:90.3 occ:0.69 CL1 A:CLM1211 0.0 90.3 0.7 C1 A:CLM1211 1.8 90.7 0.7 C2 A:CLM1211 2.7 90.9 0.7 CL2 A:CLM1211 3.0 90.7 0.7 O2 A:CLM1211 3.1 91.0 0.7 N2 A:CLM1211 3.7 91.2 0.7 CB A:LEU66 4.0 70.3 1.0 CD2 A:HIS70 4.0 77.1 1.0 O A:LEU66 4.0 71.1 1.0 NE2 A:HIS70 4.2 77.8 1.0 ND1 A:HIS67 4.3 0.3 1.0 C A:LEU66 4.4 71.3 1.0 CD1 A:LEU66 4.7 67.7 1.0 CE1 A:HIS67 4.7 0.3 1.0 CA A:LEU66 4.8 70.5 1.0 CG1 A:VAL96 4.8 53.2 1.0 CG A:LEU66 4.9 69.6 1.0 C3 A:CLM1211 4.9 90.9 0.7

Chlorine binding site 2 out of 4 in the Ttgr in Complex Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ttgr in Complex Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1211 b:90.7 occ:0.69 CL2 A:CLM1211 0.0 90.7 0.7 C1 A:CLM1211 1.8 90.7 0.7 C2 A:CLM1211 2.7 90.9 0.7 CL1 A:CLM1211 3.0 90.3 0.7 O2 A:CLM1211 3.1 91.0 0.7 N2 A:CLM1211 3.6 91.2 0.7 CD1 A:LEU66 4.2 67.7 1.0 CE1 A:HIS67 4.3 0.3 1.0 ND1 A:HIS67 4.8 0.3 1.0 C3 A:CLM1211 4.9 90.9 0.7 ND2 A:ASN110 4.9 44.8 1.0 CB A:LEU66 4.9 70.3 1.0

Chlorine binding site 3 out of 4 in the Ttgr in Complex Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ttgr in Complex Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1211 b:1.0 occ:0.71 CL1 B:CLM1211 0.0 1.0 0.7 C1 B:CLM1211 1.9 0.5 0.7 C2 B:CLM1211 2.8 0.1 0.7 O B:HOH2057 2.9 39.3 1.0 O B:HOH2056 3.0 30.1 1.0 N2 B:CLM1211 3.1 99.4 0.7 CL2 B:CLM1211 3.2 0.5 0.7 SG B:CYS137 3.4 68.0 1.0 C7 B:CLM1211 3.6 97.4 0.7 CB B:CYS137 3.7 64.1 1.0 O2 B:CLM1211 3.8 0.2 0.7 C8 B:CLM1211 4.1 96.7 0.7 C3 B:CLM1211 4.5 98.4 0.7 CA B:CYS137 4.6 63.9 1.0 CD2 B:HIS67 4.7 85.5 1.0 C6 B:CLM1211 4.7 97.5 0.7 NE2 B:HIS67 4.7 85.5 1.0 C5 B:CLM1211 5.0 97.7 0.7

Chlorine binding site 4 out of 4 in the Ttgr in Complex Chloramphenicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ttgr in Complex Chloramphenicol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1211 b:0.5 occ:0.71 CL2 B:CLM1211 0.0 0.5 0.7 C1 B:CLM1211 1.9 0.5 0.7 C2 B:CLM1211 2.7 0.1 0.7 O2 B:CLM1211 2.8 0.2 0.7 O B:HOH2014 3.0 35.0 1.0 CL1 B:CLM1211 3.2 1.0 0.7 CD2 B:HIS67 3.4 85.5 1.0 CA B:HIS67 3.7 63.3 1.0 CD2 B:HIS70 3.8 71.8 1.0 O B:HOH2057 3.9 39.3 1.0 O B:LEU66 3.9 60.3 1.0 CG B:HIS67 4.0 85.5 1.0 N2 B:CLM1211 4.0 99.4 0.7 N B:HIS67 4.0 61.5 1.0 C B:LEU66 4.1 60.3 1.0 CB B:HIS67 4.2 85.5 1.0 NE2 B:HIS67 4.3 85.5 1.0 CB B:LEU66 4.5 58.6 1.0 NE2 B:HIS70 4.6 73.1 1.0 O B:HOH2056 4.8 30.1 1.0 C B:HIS67 4.8 63.5 1.0 CG B:HIS70 4.9 70.5 1.0 O B:HIS67 4.9 62.7 1.0

Y.Alguel, C.Meng, W.Teran, T.Krell, J.L.Ramos, M.-T.Gallegos, X.Zhang. Crystal Structures of Multidrug Binding Protein Ttgr in Complex with Antibiotics and Plant Antimicrobials. J.Mol.Biol. V. 369 829 2007.
ISSN: ISSN 0022-2836
PubMed: 17466326
DOI: 10.1016/J.JMB.2007.03.062