Bromine in PDB 4bwo: The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin

The structure of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin, PDB code: 4bwo was solved by E.Lonardi, K.Moonens, L.Buts, A.R.De Boer, J.D.M.Olsson, M.S.Weiss, E.Fabre, Y.Guerardel, A.M.Deelder, S.Oscarson, M.Wuhrer, J.Bouckaert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.108 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.181, 74.382, 98.857, 90.00, 90.00, 90.00
R / Rfree (%)	16.13 / 21.14

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Bromine atom in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin (pdb code 4bwo). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 14 binding sites of Bromine where determined in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin, PDB code: 4bwo:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 14 in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1148 b:15.8 occ:0.69 N B:ALA96 3.5 13.6 1.0 N B:THR95 3.5 12.9 1.0 N A:THR95 3.5 14.2 1.0 N A:ALA96 3.5 16.7 1.0 O B:HOH2097 3.8 34.5 1.0 CA B:GLY94 3.9 10.1 1.0 CA A:GLY94 3.9 17.2 1.0 CB B:ALA96 3.9 15.0 1.0 CB A:ALA96 4.0 16.2 1.0 OG1 B:THR95 4.0 17.4 1.0 OG1 A:THR95 4.1 16.8 1.0 C B:GLY94 4.1 10.5 1.0 C A:GLY94 4.1 13.5 1.0 O A:ALA96 4.2 14.4 1.0 CA B:ALA96 4.2 13.3 1.0 CA A:ALA96 4.2 13.5 1.0 O B:ALA96 4.3 17.2 1.0 CA B:THR95 4.4 13.3 1.0 C B:THR95 4.4 17.1 1.0 CA A:THR95 4.4 14.6 1.0 O A:HOH2116 4.5 20.9 1.0 C A:THR95 4.5 17.5 1.0 C A:ALA96 4.7 18.9 1.0 C B:ALA96 4.7 16.3 1.0 O A:HOH2119 4.8 24.7 1.0 CB B:THR95 4.9 12.5 1.0 CB A:THR95 4.9 18.8 1.0

Bromine binding site 2 out of 14 in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1149 b:19.8 occ:0.49 OG A:SER110 3.0 14.6 1.0 O A:ARG70 3.6 9.3 1.0 O A:GLU108 3.6 10.0 1.0 OE1 A:GLN31 3.6 33.2 1.0 NE A:ARG70 3.7 23.1 1.0 CB A:GLU108 3.7 16.9 1.0 C A:GLU108 3.8 14.7 1.0 C A:ARG70 3.8 7.7 1.0 C A:VAL71 3.8 9.7 1.0 OG A:SER72 3.9 16.8 0.4 CA A:VAL71 3.9 7.2 1.0 N A:SER72 3.9 11.4 1.0 CB A:SER110 4.0 10.3 1.0 N A:VAL71 4.0 8.9 1.0 CB A:SER72 4.1 13.6 0.6 CG A:ARG70 4.1 18.0 1.0 CB A:ARG70 4.1 12.6 1.0 CB A:SER72 4.2 13.9 0.4 N A:ILE109 4.2 8.7 1.0 N A:SER110 4.2 11.1 1.0 O A:VAL71 4.3 6.7 1.0 CA A:GLU108 4.4 6.5 1.0 C A:ILE109 4.4 9.4 1.0 CA A:ILE109 4.4 9.3 1.0 CD A:ARG70 4.4 10.6 1.0 NH2 A:ARG70 4.4 37.5 1.0 CZ A:ARG70 4.5 29.7 1.0 BR A:BR1150 4.6 27.3 0.3 CD A:GLN31 4.6 31.4 1.0 CA A:ARG70 4.6 10.7 1.0 CA A:SER72 4.6 11.8 0.6 CA A:SER72 4.7 11.7 0.4 CA A:SER110 4.7 9.6 1.0 OE2 A:GLU82 4.7 32.1 1.0 OE1 A:GLU108 4.9 30.5 1.0 CG A:GLN31 4.9 18.4 1.0 CG A:GLU108 5.0 17.1 1.0

Bromine binding site 3 out of 14 in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1150 b:27.3 occ:0.28 NH2 A:ARG70 2.2 37.5 1.0 O A:HOH2084 2.9 30.1 1.0 OG A:SER110 3.2 14.6 1.0 CZ A:ARG70 3.3 29.7 1.0 OE1 A:GLN31 3.4 33.2 1.0 CD A:GLN31 3.5 31.4 1.0 CZ2 A:TRP85 3.7 11.6 1.0 NE A:ARG70 3.8 23.1 1.0 CB A:SER110 3.8 10.3 1.0 NE2 A:GLN31 3.9 21.6 1.0 CG A:PRO25 3.9 27.1 1.0 CH2 A:TRP85 4.0 11.9 1.0 CB A:GLN31 4.1 15.5 1.0 CG2 A:THR29 4.1 10.7 1.0 CG A:GLN31 4.2 18.4 1.0 NH1 A:ARG70 4.3 23.7 1.0 BR A:BR1149 4.6 19.8 0.5 CE2 A:TRP85 4.8 11.2 1.0 CB A:PRO25 4.8 21.1 1.0

Bromine binding site 4 out of 14 in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1151 b:76.3 occ:0.75 BR A:BR1151 0.0 76.3 0.8 BR A:BR1151 1.9 27.0 0.2 HG A:SER132 2.6 24.0 0.3 HB3 A:SER132 3.1 21.0 0.7 OG A:SER132 3.3 20.0 0.3 HB2 A:SER132 3.3 21.0 0.3 HB2 A:SER132 3.3 21.0 0.7 OG A:SER130 3.5 26.1 1.0 CB A:SER132 3.6 17.5 0.7 O A:HOH2143 3.7 27.4 1.0 CB A:SER132 3.7 17.5 0.3 O A:SER130 3.8 13.2 1.0 C A:PHE131 3.9 12.7 1.0 C A:SER130 3.9 17.1 1.0 N A:PHE131 3.9 12.6 1.0 N A:SER132 3.9 11.9 1.0 OG1 A:THR48 4.0 15.6 1.0 CA A:PHE131 4.0 12.0 1.0 H A:SER132 4.0 14.3 0.3 H A:SER132 4.0 14.3 0.7 CB A:SER130 4.1 20.8 1.0 O A:PHE131 4.3 12.4 1.0 N A:GLN50 4.4 11.3 1.0 O A:THR48 4.4 11.8 1.0 CA A:SER132 4.4 15.8 0.7 CA A:SER132 4.5 15.8 0.3 CA A:CYS49 4.5 9.9 1.0 HB3 A:SER132 4.6 21.0 0.3 CA A:SER130 4.7 11.5 1.0 C A:CYS49 4.7 9.9 1.0 CB A:GLN50 4.7 18.5 1.0 OG A:SER132 4.8 16.5 0.7 C A:THR48 4.8 14.4 1.0 HA A:SER132 4.9 19.0 0.7 HA A:SER132 4.9 18.9 0.3 N A:CYS49 5.0 10.1 1.0

Bromine binding site 5 out of 14 in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1151 b:27.0 occ:0.25 BR A:BR1151 0.0 27.0 0.2 BR A:BR1151 1.9 76.3 0.8 OG1 A:THR48 2.8 15.6 1.0 CA A:CYS49 3.3 9.9 1.0 HB3 A:SER132 3.4 21.0 0.7 C A:CYS49 3.4 9.9 1.0 N A:CYS49 3.4 10.1 1.0 C A:THR48 3.5 14.4 1.0 N A:GLN50 3.5 11.3 1.0 HB2 A:SER132 3.6 21.0 0.3 O A:THR48 3.6 11.8 1.0 CB A:THR48 3.7 15.3 1.0 O A:HOH2063 3.9 25.7 1.0 O A:CYS49 4.0 10.7 1.0 HG A:SER132 4.0 24.0 0.3 O A:SER130 4.0 13.2 1.0 H A:SER132 4.1 14.3 0.3 H A:SER132 4.1 14.3 0.7 CB A:GLN50 4.2 18.5 1.0 CB A:SER132 4.3 17.5 0.7 CA A:THR48 4.3 12.2 1.0 N A:SER132 4.3 11.9 1.0 HB2 A:SER132 4.4 21.0 0.7 CB A:SER132 4.4 17.5 0.3 OG A:SER132 4.4 20.0 0.3 CA A:GLN50 4.5 8.6 1.0 O A:HOH2062 4.5 29.6 1.0 CA A:PHE131 4.6 12.0 1.0 OG A:SER130 4.6 26.1 1.0 C A:SER130 4.6 17.1 1.0 C A:PHE131 4.6 12.7 1.0 CB A:CYS49 4.8 13.0 1.0 N A:PHE131 4.8 12.6 1.0 CA A:SER132 5.0 15.8 0.7 CA A:SER132 5.0 15.8 0.3

Bromine binding site 6 out of 14 in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1152 b:36.1 occ:0.34 N A:ALA7 3.7 33.4 1.0 CD1 A:TRP30 3.7 18.0 1.0 O A:HOH2001 3.9 39.0 1.0 CG2 A:THR22 4.1 21.8 1.0 CA A:SER6 4.1 46.3 1.0 CG A:MET24 4.2 21.9 1.0 NE1 A:TRP30 4.2 19.8 1.0 CB A:ALA7 4.4 22.3 1.0 C A:SER6 4.5 35.7 1.0 CA A:ALA7 4.6 23.1 1.0 SD A:MET24 4.7 26.5 1.0 OG A:SER6 4.7 59.3 1.0 O A:THR22 4.8 17.0 1.0 CB A:SER6 4.8 36.4 1.0 CB A:THR22 4.9 18.8 1.0 C A:GLN23 4.9 22.9 1.0 CA A:GLN23 4.9 23.3 0.6 C A:THR22 5.0 25.3 1.0 CG A:TRP30 5.0 17.4 1.0

Bromine binding site 7 out of 14 in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1153 b:63.4 occ:0.69 O A:HOH2048 2.2 45.2 1.0 O A:HOH2127 2.6 40.5 1.0 N A:LYS101 3.3 14.1 1.0 CA A:LYS100 3.7 19.5 1.0 CB A:LYS100 3.8 26.8 1.0 CG A:LYS101 3.9 22.8 1.0 C A:LYS100 4.0 18.6 1.0 NZ A:LYS101 4.0 51.3 1.0 O A:HOH2126 4.2 41.0 1.0 CB A:LYS101 4.3 14.8 1.0 CA A:LYS101 4.4 14.5 1.0 CD A:LYS101 4.5 31.9 1.0 O A:ASN99 4.8 24.6 1.0 O A:HOH2045 4.8 34.3 1.0 CE A:LYS101 4.9 32.3 1.0 N A:LYS100 5.0 17.0 1.0

Bromine binding site 8 out of 14 in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1155 b:25.1 occ:0.39 N A:GLY60 3.4 25.3 1.0 O A:HOH2077 3.6 41.5 1.0 N A:ASN59 4.0 31.2 1.0 CB A:TRP57 4.1 23.6 1.0 CA A:GLY60 4.2 27.9 1.0 CA A:ASN59 4.2 37.2 1.0 C A:ASN59 4.2 44.4 1.0 O A:TRP57 4.3 18.2 1.0 C A:TRP57 4.5 15.4 1.0 CG A:PRO121 4.5 23.4 1.0 C A:LYS58 4.7 29.0 1.0 N A:LYS58 4.9 18.6 1.0 CD A:PRO121 4.9 19.5 1.0 CA A:TRP57 5.0 21.5 1.0

Bromine binding site 9 out of 14 in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1148 b:19.6 occ:0.40 O B:HOH2084 2.6 44.9 1.0 OG B:SER110 3.1 14.3 1.0 O B:GLU108 3.5 13.4 1.0 O B:ARG70 3.6 10.7 1.0 CB B:GLU108 3.6 18.0 1.0 C B:GLU108 3.7 12.6 1.0 NE B:ARG70 3.7 24.1 1.0 C B:ARG70 3.8 13.4 1.0 CA B:VAL71 3.9 8.2 1.0 C B:VAL71 3.9 11.1 1.0 CB B:SER110 3.9 12.0 1.0 N B:SER72 3.9 7.4 1.0 N B:VAL71 4.0 8.0 1.0 N B:SER110 4.1 11.2 1.0 N B:ILE109 4.1 13.2 1.0 CG B:ARG70 4.1 29.0 1.0 CB B:SER72 4.2 12.3 1.0 CB B:ARG70 4.2 19.0 1.0 C B:ILE109 4.3 9.9 1.0 CA B:ILE109 4.3 9.0 1.0 CA B:GLU108 4.3 12.6 1.0 BR B:BR1151 4.4 22.0 0.3 O B:VAL71 4.4 11.8 1.0 CD B:ARG70 4.5 17.6 1.0 NH2 B:ARG70 4.5 39.9 1.0 CZ B:ARG70 4.6 32.0 1.0 CA B:SER110 4.7 12.3 1.0 OE1 B:GLU108 4.7 29.2 1.0 CA B:ARG70 4.7 12.9 1.0 CA B:SER72 4.7 11.1 1.0 CD B:GLU108 4.8 40.7 1.0 CG B:GLU108 4.8 25.2 1.0 OE2 B:GLU82 4.9 27.5 1.0 O B:ILE109 4.9 12.6 1.0

Bromine binding site 10 out of 14 in the The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of The Fedf Adhesin From Entrrotoxigenic Escherichia Coli Is A Sulfate-Binding Lectin within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1149 b:34.7 occ:0.40 O B:HOH2029 2.3 49.7 1.0 O B:HOH2001 3.4 46.1 1.0 N B:ALA7 3.5 25.2 1.0 N B:SER6 3.6 31.6 1.0 CG2 B:THR22 3.7 21.8 1.0 CG B:MET24 3.8 22.2 1.0 CD1 B:TRP30 3.9 24.0 1.0 CB B:SER6 4.0 44.9 1.0 CA B:SER6 4.1 51.3 1.0 CB B:ALA7 4.2 24.3 1.0 C B:SER6 4.3 45.2 1.0 CA B:ALA7 4.4 24.9 1.0 C B:GLN23 4.4 26.1 1.0 SD B:MET24 4.5 44.4 1.0 O B:THR22 4.5 23.2 1.0 CB B:THR22 4.5 19.8 1.0 O B:GLN23 4.6 18.6 1.0 C B:THR22 4.6 23.9 1.0 NE1 B:TRP30 4.6 24.1 1.0 CA B:GLN23 4.6 27.1 1.0 N B:GLN23 4.7 20.4 1.0 N B:MET24 4.7 18.8 1.0 O B:ALA7 4.8 25.6 1.0 OG B:SER6 4.9 55.9 1.0 CB B:MET24 4.9 21.2 1.0

E.Lonardi, K.Moonens, L.Buts, A.R.Deboer, J.D.M.Olsson, M.S.Weiss, E.Fabre, Y.Guerardel, A.M.Deelder, S.Oscarson, M.Wuhrer, J.Bouckaert. Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors For Fimbrial Adhesins of Enterotoxigenic Escherichia Coli Biology V. 2 894 2013.
ISSN: ISSN 2079-7737
PubMed: 24833052
DOI: 10.3390/BIOLOGY2030894