Bromine in PDB 6gbg: Helicobacter Pylori Adhesin Hopq Type I Bound to the N-Terminal Domain of Human CEACAM1

The structure of Helicobacter Pylori Adhesin Hopq Type I Bound to the N-Terminal Domain of Human CEACAM1, PDB code: 6gbg was solved by K.Moonens, T.Kruse, M.Gerhard, H.Remaut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.52 / 2.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.430, 94.430, 119.700, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 26.3

The binding sites of Bromine atom in the Helicobacter Pylori Adhesin Hopq Type I Bound to the N-Terminal Domain of Human CEACAM1 (pdb code 6gbg). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Helicobacter Pylori Adhesin Hopq Type I Bound to the N-Terminal Domain of Human CEACAM1, PDB code: 6gbg:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Helicobacter Pylori Adhesin Hopq Type I Bound to the N-Terminal Domain of Human CEACAM1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Helicobacter Pylori Adhesin Hopq Type I Bound to the N-Terminal Domain of Human CEACAM1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:69.7 occ:1.00 OG1 A:THR210 3.2 57.9 1.0 OG1 A:THR198 3.2 53.6 1.0 O A:LYS208 3.7 63.3 1.0 C A:SER199 3.8 74.7 1.0 O A:THR198 3.8 60.1 1.0 CE A:LYS116 3.8 85.4 1.0 CB A:THR210 3.8 54.5 1.0 C A:THR198 3.9 58.1 1.0 CA A:SER199 3.9 69.8 1.0 N A:SER199 3.9 65.1 1.0 N A:LYS200 4.0 79.7 1.0 O A:SER199 4.1 74.5 1.0 CB A:THR198 4.1 55.4 1.0 CB A:LYS200 4.1 83.4 1.0 CG A:LYS208 4.2 69.8 1.0 N A:THR210 4.2 52.8 1.0 CG A:LYS200 4.3 85.2 1.0 CE A:LYS208 4.5 76.7 1.0 NZ A:LYS116 4.6 86.4 1.0 C A:LYS208 4.6 61.6 1.0 CA A:THR198 4.6 55.7 1.0 CD A:LYS208 4.7 74.7 1.0 CA A:LYS200 4.7 85.4 1.0 CA A:THR210 4.7 52.7 1.0 CD A:LYS116 4.7 79.8 1.0 CG A:LYS116 4.7 76.6 1.0 C A:THR209 4.8 56.6 1.0 CA A:THR209 5.0 57.2 1.0

Bromine binding site 2 out of 3 in the Helicobacter Pylori Adhesin Hopq Type I Bound to the N-Terminal Domain of Human CEACAM1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Helicobacter Pylori Adhesin Hopq Type I Bound to the N-Terminal Domain of Human CEACAM1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:0.0 occ:1.00 N A:GLY387 3.6 57.7 1.0 O A:LYS361 3.7 73.4 1.0 O A:GLY360 3.8 70.8 1.0 N A:ALA386 3.8 57.3 1.0 CA A:CYS385 3.9 61.3 1.0 CB A:CYS362 4.0 84.5 1.0 C A:CYS385 4.1 58.3 1.0 C A:LYS361 4.1 75.1 1.0 CA A:GLY387 4.2 58.1 1.0 C A:GLY360 4.4 66.9 1.0 N A:CYS385 4.4 58.5 1.0 N A:CYS362 4.5 79.8 1.0 C A:ALA386 4.7 57.7 1.0 CA A:LYS361 4.8 74.5 1.0 CA A:ALA386 4.8 56.1 1.0 N A:LYS361 4.8 69.2 1.0 CA A:CYS362 4.9 82.7 1.0 O A:CYS385 4.9 61.1 1.0

Bromine binding site 3 out of 3 in the Helicobacter Pylori Adhesin Hopq Type I Bound to the N-Terminal Domain of Human CEACAM1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Helicobacter Pylori Adhesin Hopq Type I Bound to the N-Terminal Domain of Human CEACAM1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:96.3 occ:1.00 ND2 A:ASN76 3.6 59.9 1.0 N A:THR74 3.7 55.0 1.0 N A:ASN76 3.7 60.2 1.0 CB A:ASN76 3.8 58.9 1.0 N A:THR75 3.9 55.6 1.0 CG A:ASN76 4.0 59.0 1.0 CA A:GLY73 4.0 57.2 1.0 OG1 A:THR74 4.2 54.5 1.0 CB A:THR75 4.3 61.1 1.0 CA A:ASN76 4.4 59.0 1.0 C A:GLY73 4.4 56.1 1.0 C A:THR74 4.5 54.7 1.0 CA A:THR75 4.5 59.1 1.0 CA A:THR74 4.6 54.7 1.0 C A:THR75 4.6 59.9 1.0 OG1 A:THR75 4.8 60.3 1.0 OD1 A:ASN76 5.0 59.0 1.0

K.Moonens, Y.Hamway, M.Neddermann, M.Reschke, N.Tegtmeyer, T.Kruse, R.Kammerer, R.Mejias-Luque, B.B.Singer, S.Backert, M.Gerhard, H.Remaut. Helicobacter Pyloriadhesin Hopq Disruptstransdimerization in Human Ceacams. Embo J. V. 37 2018.
ISSN: ESSN 1460-2075
PubMed: 29858229
DOI: 10.15252/EMBJ.201798665