Bromine in PDB 4g6v: Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei

The structure of Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei, PDB code: 4g6v was solved by R.P.Morse, K.Nikolakakis, J.Willet, E.Gerrick, D.A.Low, C.S.Hayes, C.W.Goulding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.40 / 2.64
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	151.963, 173.654, 174.822, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 24.5

The binding sites of Bromine atom in the Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei (pdb code 4g6v). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei, PDB code: 4g6v:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in the Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:31.7 occ:0.54 O A:HOH406 2.9 26.3 1.0 N A:ILE172 3.4 38.7 1.0 CA A:GLN171 3.8 33.5 1.0 O A:ILE172 3.9 41.3 1.0 C A:GLN171 4.1 41.9 1.0 CB A:GLN171 4.1 28.4 1.0 CA A:ILE172 4.4 34.6 1.0 CG A:GLN171 4.4 35.3 1.0 CB A:ILE172 4.5 34.3 1.0 C A:ILE172 4.6 34.3 1.0 O A:THR170 4.7 24.3 1.0 CG1 A:ILE172 4.9 26.1 1.0

Bromine binding site 2 out of 8 in the Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:97.8 occ:0.85 OG1 A:THR229 3.9 41.9 1.0 N A:GLY230 4.0 35.6 1.0 CA A:THR229 4.5 32.3 1.0 OG H:SER18 4.6 56.8 1.0 N A:ASN231 4.7 42.5 1.0 CB A:THR229 4.7 32.4 1.0 CB H:SER18 4.7 46.3 1.0 C A:THR229 4.8 42.8 1.0 CA A:GLY230 4.8 38.8 1.0

Bromine binding site 3 out of 8 in the Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ C:Br301 b:0.6 occ:0.85 N C:GLY230 3.9 35.7 1.0 OG1 C:THR229 4.1 44.6 1.0 CA C:THR229 4.5 32.8 1.0 CA C:GLY230 4.7 39.8 1.0 N C:ASN231 4.7 44.1 1.0 C C:THR229 4.7 43.5 1.0 OG F:SER18 4.7 58.6 1.0 CB C:THR229 4.8 32.0 1.0 CB F:SER18 4.9 47.0 1.0

Bromine binding site 4 out of 8 in the Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ C:Br302 b:39.8 occ:0.44 O C:ASN188 3.7 31.8 1.0 C C:ASN188 3.8 37.0 1.0 CB C:ASN188 4.0 26.4 1.0 N C:GLN189 4.1 27.6 1.0 CG C:GLN189 4.1 31.0 1.0 CA C:GLN189 4.2 25.9 1.0 CG2 C:VAL192 4.2 31.5 1.0 CA C:ASN188 4.5 37.4 1.0 CB C:GLN189 4.7 22.2 1.0 CB C:VAL192 4.8 35.3 1.0

Bromine binding site 5 out of 8 in the Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ E:Br301 b:40.0 occ:0.44 N E:ILE172 3.3 37.9 1.0 CA E:GLN171 3.5 28.4 1.0 C E:GLN171 3.8 30.1 1.0 CB E:GLN171 3.8 25.0 1.0 O E:ILE172 4.2 46.3 1.0 CG E:GLN171 4.3 31.5 1.0 CA E:ILE172 4.4 35.8 1.0 O E:THR170 4.5 39.0 1.0 CB E:ILE172 4.6 34.1 1.0 C E:ILE172 4.7 31.8 1.0 N E:GLN171 4.8 31.6 1.0 CG1 E:ILE172 4.9 33.6 1.0 O E:GLN171 4.9 39.5 1.0

Bromine binding site 6 out of 8 in the Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ F:Br201 b:61.7 occ:0.47 ND2 F:ASN26 3.6 49.6 1.0 CA F:GLY85 4.0 45.9 1.0 CG1 F:ILE23 4.1 48.6 1.0 CA F:ILE23 4.4 44.6 1.0 NE2 F:HIS27 4.4 56.0 1.0 CG2 F:ILE23 4.5 31.0 1.0 CB F:ILE23 4.5 39.3 1.0 CG F:ASN26 4.6 57.2 1.0 CB F:ASN26 4.7 61.1 1.0 N F:GLY85 4.8 51.2 1.0 CD2 F:HIS27 4.9 56.0 1.0 O F:ASP84 5.0 52.9 1.0

Bromine binding site 7 out of 8 in the Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ G:Br301 b:34.3 occ:0.58 CB G:ASN188 3.9 26.4 1.0 CG2 G:VAL192 3.9 22.4 1.0 CG G:GLN189 4.0 34.8 1.0 C G:ASN188 4.0 30.5 1.0 N G:GLN189 4.0 24.9 1.0 O G:ASN188 4.1 28.1 1.0 CD1 G:ILE185 4.2 39.2 1.0 CA G:GLN189 4.2 30.6 1.0 CA G:ASN188 4.6 34.7 1.0 CB G:GLN189 4.7 26.8 1.0 CB G:VAL192 4.9 33.2 1.0 O G:ILE185 4.9 29.8 1.0

Bromine binding site 8 out of 8 in the Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Cdia-Ct/Cdii Toxin and Immunity Complex From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ H:Br201 b:69.1 occ:0.56 ND2 H:ASN26 3.7 49.5 1.0 CA H:GLY85 4.0 45.0 1.0 CG1 H:ILE23 4.1 48.9 1.0 NE2 H:HIS27 4.3 56.3 1.0 CA H:ILE23 4.4 44.2 1.0 CG2 H:ILE23 4.5 32.3 1.0 CB H:ILE23 4.6 37.5 1.0 CG H:ASN26 4.6 59.2 1.0 CB H:ASN26 4.6 61.0 1.0 CD2 H:HIS27 4.7 55.6 1.0 N H:GLY85 4.8 50.8 1.0 O H:ASP84 5.0 53.0 1.0

R.P.Morse, K.C.Nikolakakis, J.L.Willett, E.Gerrick, D.A.Low, C.S.Hayes, C.W.Goulding. Structural Basis of Toxicity and Immunity in Contact-Dependent Growth Inhibition (Cdi) Systems. Proc.Natl.Acad.Sci.Usa V. 109 21480 2012.
ISSN: ISSN 0027-8424
PubMed: 23236156
DOI: 10.1073/PNAS.1216238110