Chlorine in PDB 2vdd: Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps

The structure of Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps, PDB code: 2vdd was solved by V.N.Bavro, Z.Pietras, N.Furnham, L.Perez-Cano, J.Fernandez-Recio, X.Y.Pei, R.Truer, R.Misra, B.Luisi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.80 / 3.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	122.485, 70.966, 219.951, 90.00, 100.61, 90.00
R / Rfree (%)	23.6 / 29.5

The structure of Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps (pdb code 2vdd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps, PDB code: 2vdd:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1454 b:51.5 occ:1.00 N A:GLN316 3.2 27.2 1.0 N A:MET319 3.4 30.4 1.0 N A:GLY318 3.4 29.1 1.0 N A:VAL320 3.5 30.9 1.0 OD1 A:ASN321 3.5 31.8 1.0 CA A:GLY318 3.5 29.7 1.0 CB A:GLN316 3.6 27.5 1.0 CA A:GLN316 3.6 27.6 1.0 C A:GLN316 3.6 27.9 1.0 O A:GLN316 3.7 28.0 1.0 CG2 A:VAL320 3.7 31.1 1.0 C A:GLY318 3.7 30.0 1.0 CB A:VAL320 3.9 31.0 1.0 CA A:VAL320 4.2 30.9 1.0 C A:TYR315 4.2 26.9 1.0 CD1 A:TYR315 4.2 26.6 1.0 CA A:MET319 4.2 31.0 1.0 N A:GLY317 4.3 28.1 1.0 C A:MET319 4.3 31.1 1.0 N A:ASN321 4.5 30.6 1.0 CA A:TYR315 4.5 26.6 1.0 CE1 A:TYR315 4.5 26.6 1.0 CG A:GLN316 4.5 28.3 1.0 C A:GLY317 4.6 28.9 1.0 CB A:MET319 4.6 31.1 1.0 O A:GLY318 4.6 29.9 1.0 CE1 A:HIS266 4.7 30.4 1.0 CG A:ASN321 4.7 31.5 1.0 CG A:TYR315 4.9 26.5 1.0 C A:VAL320 4.9 30.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1454 b:31.3 occ:1.00 N B:GLN316 3.1 25.7 1.0 N B:MET319 3.4 28.1 1.0 N B:GLY318 3.5 26.5 1.0 N B:VAL320 3.6 29.0 1.0 CA B:GLN316 3.6 25.7 1.0 CG2 B:VAL320 3.6 29.1 1.0 OD1 B:ASN321 3.6 31.7 1.0 C B:GLN316 3.7 25.8 1.0 CB B:GLN316 3.7 25.8 1.0 CA B:GLY318 3.7 27.2 1.0 C B:GLY318 3.9 27.6 1.0 CB B:VAL320 4.0 29.1 1.0 O B:GLN316 4.0 25.7 1.0 N B:GLY317 4.1 25.9 1.0 CD1 B:TYR315 4.1 24.6 1.0 C B:TYR315 4.3 25.6 1.0 CA B:VAL320 4.3 29.1 1.0 CA B:MET319 4.3 28.7 1.0 CG B:GLN316 4.4 26.5 1.0 C B:MET319 4.4 29.0 1.0 CE1 B:TYR315 4.5 24.8 1.0 C B:GLY317 4.5 26.2 1.0 CA B:TYR315 4.5 25.2 1.0 N B:ASN321 4.6 29.3 1.0 CB B:MET319 4.6 28.8 1.0 CE1 B:HIS266 4.7 32.3 1.0 CG B:ASN321 4.8 30.9 1.0 O B:GLY318 4.9 27.4 1.0 CA B:GLY317 4.9 26.0 1.0 CG B:TYR315 5.0 24.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Open State of Tolc Outer Membrane Component of Mutlidrug Efflux Pumps within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1454 b:42.6 occ:1.00 N C:MET319 3.3 27.4 1.0 N C:GLN316 3.4 25.4 1.0 N C:GLY318 3.4 25.9 1.0 N C:VAL320 3.5 28.4 1.0 CA C:GLY318 3.6 26.5 1.0 CB C:GLN316 3.6 25.1 1.0 C C:GLY318 3.7 26.9 1.0 C C:GLN316 3.7 25.2 1.0 CA C:GLN316 3.7 25.1 1.0 CG2 C:VAL320 3.8 28.7 1.0 O C:GLN316 3.8 25.1 1.0 CB C:VAL320 4.0 28.6 1.0 O C:HOH2001 4.1 19.0 1.0 CA C:MET319 4.1 27.9 1.0 C C:MET319 4.2 28.1 1.0 N C:GLY317 4.2 25.3 1.0 CA C:VAL320 4.3 28.7 1.0 N C:ASN321 4.3 29.4 1.0 CD1 C:TYR315 4.4 26.5 1.0 CB C:MET319 4.4 28.0 1.0 C C:TYR315 4.5 25.7 1.0 C C:GLY317 4.5 25.6 1.0 CE1 C:TYR315 4.6 26.6 1.0 CG C:GLN316 4.6 25.1 1.0 O C:GLY318 4.6 26.6 1.0 CA C:TYR315 4.8 25.6 1.0 C C:VAL320 4.9 29.0 1.0 CE1 C:HIS266 4.9 27.7 1.0 CA C:GLY317 5.0 25.4 1.0

V.N.Bavro, Z.Pietras, N.Furnham, L.Perez-Cano, J.Fernandez-Recio, X.Y.Pei, R.Truer, R.Misra, B.Luisi. Assembly and Channel Opening in A Bacterial Drug Efflux Machine. Mol.Cell V. 30 114 2008.
ISSN: ISSN 1097-2765
PubMed: 18406332
DOI: 10.1016/J.MOLCEL.2008.02.015