Bromine in PDB 1n8v: Chemosensory Protein in Complex with Bromo-Dodecanol

The structure of Chemosensory Protein in Complex with Bromo-Dodecanol, PDB code: 1n8v 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)	55.00 / 1.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	33.460, 54.180, 56.380, 90.00, 93.88, 90.00
R / Rfree (%)	18 / 20.2

The binding sites of Bromine atom in the Chemosensory Protein in Complex with Bromo-Dodecanol (pdb code 1n8v). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Chemosensory Protein in Complex with Bromo-Dodecanol, PDB code: 1n8v:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 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:Br501 b:2.0 occ:1.00 BR A:BDD501 0.0 2.0 1.0 C12 A:BDD501 1.6 18.8 1.0 C11 A:BDD501 2.6 18.2 1.0 C10 A:BDD501 3.3 19.0 1.0 CG2 A:VAL30 3.8 12.5 1.0 CB A:VAL30 3.9 11.9 1.0 CA A:VAL27 4.0 11.0 1.0 O A:TYR26 4.0 10.8 1.0 O A:HOH593 4.1 59.3 1.0 CD1 A:LEU84 4.1 13.4 1.0 C A:TYR26 4.2 10.3 1.0 N A:VAL27 4.2 11.0 1.0 CG2 A:VAL27 4.3 12.2 1.0 CG1 A:VAL30 4.3 14.9 1.0 CD2 A:LEU43 4.3 14.4 1.0 CD2 A:LEU84 4.4 13.1 1.0 C9 A:BDD501 4.6 20.3 1.0 CB A:TYR26 4.6 11.3 1.0 CB A:VAL27 4.7 11.7 1.0 CG A:LEU84 4.9 12.4 1.0

Bromine binding site 2 out of 6 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:Br502 b:7.0 occ:1.00 BR A:BDD502 0.0 7.0 1.0 C12 A:BDD502 1.6 21.9 1.0 C11 A:BDD502 2.7 21.9 1.0 C10 A:BDD502 3.5 19.9 1.0 CG A:GLU42 3.6 16.3 1.0 N A:LEU43 3.6 11.5 1.0 C3 A:BDD501 3.7 32.8 1.0 CB A:GLU42 3.8 13.0 1.0 CA A:LEU43 3.9 11.2 1.0 C A:GLU42 4.0 11.8 1.0 C2 A:BDD501 4.0 33.9 1.0 O A:GLU39 4.1 12.7 1.0 CB A:LEU43 4.2 11.8 1.0 CD2 A:TYR8 4.3 14.7 1.0 O A:GLU42 4.4 12.0 1.0 C4 A:BDD501 4.4 31.8 1.0 CA A:GLU42 4.5 12.8 1.0 O A:HOH633 4.5 15.0 1.0 C9 A:BDD502 4.7 21.5 1.0

Bromine binding site 3 out of 6 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:Br503 b:9.0 occ:1.00 BR A:BDD503 0.0 9.0 1.0 C12 A:BDD503 1.6 14.4 1.0 C11 A:BDD503 2.6 21.1 1.0 O1 A:BDD501 2.6 36.0 1.0 C1 A:BDD501 2.9 34.9 1.0 C2 A:BDD501 3.6 33.9 1.0 C3 A:BDD501 3.8 32.8 1.0 C10 A:BDD503 3.9 23.1 1.0 CD1 A:LEU13 3.9 16.7 1.0 CA A:GLN62 4.1 11.4 1.0 CA A:GLY65 4.1 12.1 1.0 O A:GLN62 4.2 12.5 1.0 C A:GLY65 4.3 12.7 1.0 N A:ALA66 4.4 12.5 1.0 CD2 A:LEU13 4.5 17.4 1.0 CG A:GLN62 4.5 12.0 1.0 O A:ASN61 4.6 13.2 1.0 CB A:GLN62 4.6 11.1 1.0 C A:GLN62 4.6 12.1 1.0 CG A:LEU13 4.7 14.9 1.0 O A:GLY65 4.8 12.1 1.0 N A:GLY65 4.9 12.4 1.0 C4 A:BDD501 4.9 31.8 1.0 O A:HOH554 5.0 38.0 1.0

Bromine binding site 4 out of 6 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 4 of Chemosensory Protein in Complex with Bromo-Dodecanol within 5.0Å range: probe atom residue distance (Å) B Occ B:Br511 b:2.0 occ:1.00 BR B:BDD511 0.0 2.0 1.0 C12 B:BDD511 1.6 17.4 1.0 C11 B:BDD511 2.6 18.0 1.0 C10 B:BDD511 3.3 18.8 1.0 CG2 B:VAL30 3.7 14.9 1.0 CB B:VAL30 3.9 13.7 1.0 O B:TYR26 4.0 12.5 1.0 CA B:VAL27 4.0 12.3 1.0 CD1 B:LEU84 4.1 12.8 1.0 C B:TYR26 4.2 11.8 1.0 CG1 B:VAL30 4.2 15.8 1.0 N B:VAL27 4.2 12.0 1.0 CD2 B:LEU84 4.3 14.7 1.0 CG2 B:VAL27 4.3 13.5 1.0 CD2 B:LEU43 4.4 13.8 1.0 C7 B:BDD513 4.7 23.3 1.0 C9 B:BDD511 4.7 19.8 1.0 CB B:TYR26 4.7 12.6 1.0 CB B:VAL27 4.8 12.3 1.0 CG B:LEU84 4.9 12.5 1.0 C6 B:BDD513 4.9 23.9 1.0

Bromine binding site 5 out of 6 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 5 of Chemosensory Protein in Complex with Bromo-Dodecanol within 5.0Å range: probe atom residue distance (Å) B Occ B:Br512 b:22.3 occ:1.00 BR B:BDD512 0.0 22.3 1.0 C12 B:BDD512 1.6 27.2 1.0 C11 B:BDD512 2.5 27.4 1.0 CB B:GLU42 3.3 13.9 1.0 CG B:GLU42 3.4 16.3 1.0 N B:LEU43 3.5 12.6 1.0 C4 B:BDD511 3.6 28.5 1.0 C2 B:BDD511 3.7 30.7 1.0 C3 B:BDD511 3.7 28.3 1.0 C B:GLU42 3.7 13.0 1.0 O B:GLU39 3.7 13.0 1.0 C10 B:BDD512 3.8 28.7 1.0 CA B:LEU43 3.9 12.7 1.0 O1 B:BDD511 4.0 32.0 1.0 C1 B:BDD511 4.1 30.4 1.0 CA B:GLU42 4.1 13.5 1.0 CB B:LEU43 4.2 13.1 1.0 O B:GLU42 4.2 13.4 1.0 CD2 B:TYR8 4.4 14.1 1.0 C5 B:BDD511 4.6 24.5 1.0 O B:HOH663 4.7 14.8 1.0 C B:GLU39 4.7 13.2 1.0 CD B:GLU42 4.9 17.9 1.0 N B:GLU42 4.9 12.2 1.0 CA B:GLU39 5.0 13.6 1.0 CB B:TYR8 5.0 12.1 1.0

Bromine binding site 6 out of 6 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 6 of Chemosensory Protein in Complex with Bromo-Dodecanol within 5.0Å range: probe atom residue distance (Å) B Occ B:Br513 b:4.9 occ:1.00 BR B:BDD513 0.0 4.9 1.0 C12 B:BDD513 1.6 19.4 1.0 C11 B:BDD513 2.7 18.8 1.0 O B:HOH652 3.7 49.0 1.0 C3 B:BDD511 3.8 28.3 1.0 CA B:GLY65 3.8 13.4 1.0 C1 B:BDD511 3.9 30.4 1.0 C10 B:BDD513 4.0 20.8 1.0 C B:GLY65 4.1 13.0 1.0 O B:GLN62 4.1 13.4 1.0 CD2 B:LEU13 4.2 20.1 1.0 CA B:GLN62 4.2 14.2 1.0 N B:ALA66 4.3 12.6 1.0 C2 B:BDD511 4.4 30.7 1.0 O B:ASN61 4.4 15.6 1.0 C6 B:BDD511 4.5 23.1 1.0 C B:GLN62 4.6 14.0 1.0 O B:GLY65 4.7 13.6 1.0 N B:GLY65 4.7 14.3 1.0 CG B:LEU13 4.8 19.6 1.0 CG B:GLN62 4.9 13.7 1.0 CD1 B:LEU13 4.9 23.2 1.0 CB B:GLN62 4.9 13.4 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