Chlorine in PDB 3qp5: Crystal Structure of Cvir Bound to Antagonist Chlorolactone (Cl)

The structure of Crystal Structure of Cvir Bound to Antagonist Chlorolactone (Cl), PDB code: 3qp5 was solved by G.Chen, L.Swem, D.Swem, D.Stauff, C.O'loughlin, P.Jeffrey, B.Bassler, F.Hughson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.88 / 3.25
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	169.318, 169.318, 99.844, 90.00, 90.00, 120.00
R / Rfree (%)	26.3 / 30.4

The binding sites of Chlorine atom in the Crystal Structure of Cvir Bound to Antagonist Chlorolactone (Cl) (pdb code 3qp5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Cvir Bound to Antagonist Chlorolactone (Cl), PDB code: 3qp5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Cvir Bound to Antagonist Chlorolactone (Cl)


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 Cvir Bound to Antagonist Chlorolactone (Cl) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl266 b:0.6 occ:1.00 CL1 A:HLC266 0.0 0.6 1.0 C12 A:HLC266 1.8 0.8 1.0 C11 A:HLC266 2.7 1.0 1.0 C13 A:HLC266 2.8 1.0 1.0 CG1 B:VAL250 3.7 82.0 1.0 CG A:MET89 3.9 0.9 1.0 C10 A:HLC266 4.0 0.3 1.0 C14 A:HLC266 4.1 0.4 1.0 SD A:MET89 4.2 0.9 1.0 CE B:MET253 4.2 0.0 1.0 CG2 B:VAL250 4.3 81.7 1.0 C9 A:HLC266 4.6 0.5 1.0 CB B:VAL250 4.6 81.0 1.0 SD B:MET253 4.8 0.7 1.0 CE A:MET89 5.0 91.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Cvir Bound to Antagonist Chlorolactone (Cl)


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 Cvir Bound to Antagonist Chlorolactone (Cl) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl266 b:0.1 occ:1.00 CL1 B:HLC266 0.0 0.1 1.0 C12 B:HLC266 1.8 1.0 1.0 C11 B:HLC266 2.7 0.1 1.0 CG2 A:VAL250 2.8 0.5 1.0 C13 B:HLC266 2.8 0.0 1.0 CG1 A:VAL250 3.3 0.8 1.0 CB A:VAL250 3.5 0.9 1.0 CE B:MET89 3.7 0.9 1.0 CG B:MET89 3.8 0.6 1.0 SD B:MET89 3.8 0.3 1.0 CD2 B:LEU85 3.8 0.4 1.0 C10 B:HLC266 4.0 0.4 1.0 C14 B:HLC266 4.1 0.3 1.0 CA A:VAL250 4.2 0.0 1.0 CB B:LEU85 4.4 0.6 1.0 C9 B:HLC266 4.6 0.8 1.0 CG B:LEU85 4.6 0.6 1.0 O B:LEU85 4.6 0.4 1.0 CA B:LEU85 4.8 0.1 1.0 CD1 B:LEU85 4.9 1.0 1.0 C B:LEU85 5.0 0.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Cvir Bound to Antagonist Chlorolactone (Cl)


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 Cvir Bound to Antagonist Chlorolactone (Cl) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl266 b:0.0 occ:1.00 CL1 C:HLC266 0.0 0.0 1.0 C12 C:HLC266 1.8 0.2 1.0 C11 C:HLC266 2.7 0.7 1.0 C13 C:HLC266 2.8 0.4 1.0 CG2 D:VAL250 2.8 0.1 1.0 CG1 D:VAL250 3.2 94.4 1.0 CB D:VAL250 3.6 0.1 1.0 CG C:MET89 3.8 74.7 1.0 SD C:MET89 4.0 0.7 1.0 C10 C:HLC266 4.0 0.9 1.0 C14 C:HLC266 4.1 0.2 1.0 CE C:MET89 4.2 0.6 1.0 CA D:VAL250 4.4 86.0 1.0 O C:LEU85 4.4 0.4 1.0 C9 C:HLC266 4.6 0.9 1.0 CD2 C:LEU85 4.9 0.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Cvir Bound to Antagonist Chlorolactone (Cl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Cvir Bound to Antagonist Chlorolactone (Cl) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl266 b:0.7 occ:1.00 CL1 D:HLC266 0.0 0.7 1.0 C12 D:HLC266 1.8 0.4 1.0 C11 D:HLC266 2.7 0.3 1.0 C13 D:HLC266 2.8 0.8 1.0 CG D:MET89 3.1 0.6 1.0 CG2 C:VAL250 3.4 0.1 1.0 SD D:MET89 3.4 0.1 1.0 CE D:MET89 3.7 67.6 1.0 C10 D:HLC266 4.0 0.8 1.0 C14 D:HLC266 4.1 0.1 1.0 CG1 C:VAL250 4.2 0.9 1.0 CD2 D:LEU85 4.3 78.6 1.0 CB C:VAL250 4.4 0.3 1.0 O D:LEU85 4.5 0.1 1.0 CB D:MET89 4.5 0.3 1.0 C9 D:HLC266 4.6 0.2 1.0 N D:MET89 4.9 99.6 1.0 CB D:LEU85 4.9 0.0 1.0 CA C:VAL250 5.0 0.2 1.0

G.Chen, L.R.Swem, D.L.Swem, D.L.Stauff, C.T.O'loughlin, P.D.Jeffrey, B.L.Bassler, F.M.Hughson. A Strategy For Antagonizing Quorum Sensing. Mol.Cell V. 42 199 2011.
ISSN: ISSN 1097-2765
PubMed: 21504831
DOI: 10.1016/J.MOLCEL.2011.04.003