Bromine in PDB 1n8u: Chemosensory Protein in Complex with Bromo-Dodecanol

The structure of Chemosensory Protein in Complex with Bromo-Dodecanol, PDB code: 1n8u was solved by V.Campanacci, A.Lartigue, B.M.Hallberg, T.A.Jones, M.T.Giudici-Orticoni, M.Tegoni, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.63 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.529, 54.579, 33.226, 90.00, 116.59, 90.00
R / Rfree (%)	18.4 / 24.6

The binding sites of Bromine atom in the Chemosensory Protein in Complex with Bromo-Dodecanol (pdb code 1n8u). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Chemosensory Protein in Complex with Bromo-Dodecanol, PDB code: 1n8u:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Chemosensory Protein in Complex with Bromo-Dodecanol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Chemosensory Protein in Complex with Bromo-Dodecanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Br411 b:2.1 occ:1.00 BR A:BDD411 0.0 2.1 1.0 C12 A:BDD411 1.6 19.0 1.0 C11 A:BDD411 2.5 18.1 1.0 C10 A:BDD411 3.0 19.5 1.0 CA A:VAL27 3.8 15.3 1.0 O A:TYR26 3.9 15.0 1.0 CG2 A:VAL27 3.9 16.9 1.0 N A:VAL27 3.9 14.0 1.0 C A:TYR26 4.0 15.6 1.0 CD1 A:LEU84 4.1 19.3 1.0 CB A:VAL30 4.3 17.6 1.0 CG2 A:VAL30 4.3 17.2 1.0 CB A:TYR26 4.3 16.7 1.0 C9 A:BDD411 4.4 22.3 1.0 CD2 A:LEU84 4.4 20.9 1.0 CB A:VAL27 4.5 16.4 1.0 CG1 A:VAL30 4.5 20.2 1.0 CD2 A:LEU43 4.6 19.8 1.0 O A:HOH418 4.6 40.0 1.0 CA A:TYR26 4.9 16.0 1.0 C7 A:BDD413 4.9 26.3 1.0 CG A:LEU84 5.0 16.5 1.0 C6 A:BDD413 5.0 27.8 1.0 C A:VAL27 5.0 15.2 1.0

Bromine binding site 2 out of 3 in the Chemosensory Protein in Complex with Bromo-Dodecanol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Chemosensory Protein in Complex with Bromo-Dodecanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Br412 b:12.8 occ:1.00 BR A:BDD412 0.0 12.8 1.0 C12 A:BDD412 1.6 25.4 1.0 C11 A:BDD412 2.5 25.5 1.0 C2 A:BDD411 2.6 35.2 1.0 C1 A:BDD411 3.4 35.3 1.0 C3 A:BDD411 3.5 34.1 1.0 C10 A:BDD412 3.5 28.6 1.0 N A:LEU43 3.6 17.2 1.0 CG A:GLU42 3.7 21.9 1.0 CB A:GLU42 3.7 19.6 1.0 O1 A:BDD411 3.8 37.5 1.0 C A:GLU42 3.8 17.9 1.0 CA A:LEU43 3.9 17.5 1.0 O A:GLU39 4.1 17.8 1.0 O A:GLU42 4.2 17.8 1.0 C4 A:BDD411 4.3 33.1 1.0 CB A:LEU43 4.3 16.4 1.0 CA A:GLU42 4.4 19.0 1.0 CD2 A:TYR8 4.5 18.7 1.0 O A:HOH419 4.7 18.5 1.0 C9 A:BDD412 4.8 26.8 1.0

Bromine binding site 3 out of 3 in the Chemosensory Protein in Complex with Bromo-Dodecanol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Chemosensory Protein in Complex with Bromo-Dodecanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Br413 b:10.0 occ:1.00 BR A:BDD413 0.0 10.0 1.0 C12 A:BDD413 1.6 21.9 1.0 C11 A:BDD413 2.6 23.5 1.0 O A:HOH416 2.7 19.4 1.0 C1 A:BDD411 3.9 35.3 1.0 C3 A:BDD411 3.9 34.1 1.0 C10 A:BDD413 3.9 23.9 1.0 CA A:GLY65 3.9 16.5 1.0 O A:GLN62 4.1 15.0 1.0 CA A:GLN62 4.1 15.8 1.0 CD1 A:LEU13 4.1 22.2 1.0 C A:GLY65 4.2 15.7 1.0 CD2 A:LEU13 4.3 21.5 1.0 O A:ASN61 4.4 18.4 1.0 N A:ALA66 4.4 15.7 1.0 C2 A:BDD411 4.5 35.2 1.0 C A:GLN62 4.6 16.4 1.0 CG A:GLN62 4.6 16.0 1.0 CB A:GLN62 4.7 15.8 1.0 O A:GLY65 4.7 15.2 1.0 CG A:LEU13 4.7 20.0 1.0 N A:GLY65 4.8 16.7 1.0 C6 A:BDD411 4.9 29.5 1.0 C4 A:BDD411 4.9 33.1 1.0 O1 A:BDD411 5.0 37.5 1.0 N A:GLN62 5.0 16.6 1.0

V.Campanacci, A.Lartigue, B.M.Hallberg, T.A.Jones, M.T.Giudici-Orticoni, M.Tegoni, C.Cambillau. Moth Chemosensory Protein Exhibits Drastic Conformational Changes and Cooperativity on Ligand Binding. Proc.Natl.Acad.Sci.Usa V. 100 5069 2003.
ISSN: ISSN 0027-8424
PubMed: 12697900
DOI: 10.1073/PNAS.0836654100