Chlorine in PDB 5jbs: Conformational Changes During Monomer-to-Dimer Transition of Brucella Suis VIRB8

The structure of Conformational Changes During Monomer-to-Dimer Transition of Brucella Suis VIRB8, PDB code: 5jbs was solved by T.Arya, M.Sharifahmadian, J.Sygusch, B.Baron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.20 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.503, 78.723, 70.840, 90.00, 111.56, 90.00
R / Rfree (%)	19.1 / 24.1

The binding sites of Chlorine atom in the Conformational Changes During Monomer-to-Dimer Transition of Brucella Suis VIRB8 (pdb code 5jbs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Conformational Changes During Monomer-to-Dimer Transition of Brucella Suis VIRB8, PDB code: 5jbs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Conformational Changes During Monomer-to-Dimer Transition of Brucella Suis VIRB8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Conformational Changes During Monomer-to-Dimer Transition of Brucella Suis VIRB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:72.4 occ:1.00 OD1 A:ASN220 2.7 27.3 1.0 N A:LEU222 3.0 34.0 1.0 N A:PRO221 3.1 33.5 1.0 C A:ASN220 3.2 27.6 1.0 CA A:ASN220 3.3 30.9 1.0 CZ2 A:TRP106 3.3 30.4 1.0 CB A:LEU222 3.3 36.5 1.0 CG A:LEU222 3.4 42.0 1.0 NE1 A:TRP106 3.5 27.9 1.0 C1 A:PEG303 3.5 24.2 0.5 CD A:PRO221 3.5 31.6 1.0 CE2 A:TRP106 3.5 29.8 1.0 CA A:LEU222 3.6 35.0 1.0 O1 A:PEG303 3.7 21.8 0.5 CG A:ASN220 3.7 28.1 1.0 O A:ASN220 3.8 29.3 1.0 C A:PRO221 4.0 31.4 1.0 N A:GLY223 4.0 31.9 1.0 CB A:ASN220 4.0 28.6 1.0 CD1 A:LEU222 4.0 42.8 1.0 OH B:TYR105 4.1 32.9 1.0 CG A:PRO221 4.1 31.4 1.0 CA A:PRO221 4.1 32.2 1.0 C A:LEU222 4.2 34.2 1.0 O A:THR219 4.3 35.0 1.0 CH2 A:TRP106 4.3 31.3 1.0 N A:ASN220 4.4 32.0 1.0 CD1 A:TRP106 4.5 30.4 1.0 C2 A:PEG303 4.6 26.3 0.3 O2 A:PEG303 4.6 26.7 0.3 CD2 A:LEU222 4.6 48.6 1.0 CD2 A:TRP106 4.7 27.9 1.0 N A:PHE224 4.8 28.8 1.0 CB A:PRO221 4.8 34.4 1.0 C A:THR219 4.8 34.6 1.0 C2 A:PEG303 4.8 23.6 0.3 ND2 A:ASN220 4.9 27.7 1.0

Chlorine binding site 2 out of 2 in the Conformational Changes During Monomer-to-Dimer Transition of Brucella Suis VIRB8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Conformational Changes During Monomer-to-Dimer Transition of Brucella Suis VIRB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:52.2 occ:1.00 OD1 B:ASN220 2.7 30.5 1.0 N B:LEU222 2.9 32.3 1.0 CE2 B:TRP106 3.2 27.1 1.0 CZ2 B:TRP106 3.2 29.2 1.0 CB B:LEU222 3.3 36.8 1.0 N B:PRO221 3.4 34.0 1.0 NE1 B:TRP106 3.4 26.5 1.0 C B:ASN220 3.4 30.9 1.0 CA B:LEU222 3.5 33.9 1.0 CG B:LEU222 3.5 36.9 1.0 CA B:ASN220 3.6 31.7 1.0 CD B:PRO221 3.6 35.9 1.0 CG B:ASN220 3.8 34.6 1.0 N B:GLY223 3.9 33.1 1.0 CD2 B:TRP106 3.9 24.7 1.0 CH2 B:TRP106 3.9 29.0 1.0 C B:PRO221 3.9 32.6 1.0 O B:ASN220 4.0 34.4 1.0 C B:LEU222 4.0 37.2 1.0 CA B:PRO221 4.2 31.3 1.0 CD1 B:TRP106 4.2 27.9 1.0 O4 A:PEG303 4.2 30.0 0.5 CG B:PRO221 4.2 31.2 1.0 CB B:PHE224 4.2 28.3 1.0 N B:PHE224 4.2 26.9 1.0 CD1 B:LEU222 4.2 34.5 1.0 CB B:ASN220 4.3 32.0 1.0 CG B:TRP106 4.4 24.7 1.0 CE3 B:TRP106 4.4 29.2 1.0 CZ3 B:TRP106 4.5 31.5 1.0 OH A:TYR105 4.7 29.7 1.0 CB B:PRO221 4.8 34.1 1.0 CD2 B:LEU222 4.8 34.8 1.0 CA B:PHE224 4.9 29.2 1.0 N B:ASN220 4.9 35.4 1.0 ND2 B:ASN220 4.9 33.7 1.0 CA B:GLY223 4.9 35.5 1.0

T.Arya, M.Sharifahmadian, J.Sygusch, B.Baron. uc(Nmr) Analyses, X-Ray Crystallography and Small-Molecule Probing Reveal Conformational Shifts During Monomer-to-Dimer Transition of Brucella Suis VIRB8 To Be Published.