Chlorine in PDB 3fe6: Crystal Structure of A Pheromone Binding Protein From Apis Mellifera with A Serendipitous Ligand at pH 5.5

The structure of Crystal Structure of A Pheromone Binding Protein From Apis Mellifera with A Serendipitous Ligand at pH 5.5, PDB code: 3fe6 was solved by M.E.Pesenti, S.Spinelli, V.Bezirard, L.Briand, J.C.Pernollet, M.Tegoni, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.879, 84.210, 46.831, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 19.3

The binding sites of Chlorine atom in the Crystal Structure of A Pheromone Binding Protein From Apis Mellifera with A Serendipitous Ligand at pH 5.5 (pdb code 3fe6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of A Pheromone Binding Protein From Apis Mellifera with A Serendipitous Ligand at pH 5.5, PDB code: 3fe6:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Pheromone Binding Protein From Apis Mellifera with A Serendipitous Ligand at pH 5.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Pheromone Binding Protein From Apis Mellifera with A Serendipitous Ligand at pH 5.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl122 b:28.5 occ:1.00 O A:HOH211 2.9 21.8 1.0 N A:VAL65 3.1 11.2 1.0 N A:THR92 3.5 13.1 1.0 CD2 A:LEU90 3.6 12.8 1.0 CA A:ASN64 3.6 11.7 1.0 OG1 A:THR92 3.7 11.9 1.0 CA A:PRO91 3.8 12.4 1.0 C A:ASN64 3.8 11.5 1.0 CG2 A:THR92 3.9 12.5 1.0 CA A:VAL65 4.1 12.1 1.0 CB A:VAL65 4.1 12.6 1.0 CB A:ASN64 4.1 11.7 1.0 C A:PRO91 4.2 12.1 1.0 O A:HOH307 4.2 41.6 1.0 CB A:LEU90 4.2 12.4 1.0 CB A:THR92 4.2 13.3 1.0 CG A:LEU90 4.3 12.5 1.0 OD1 A:ASN64 4.3 15.8 1.0 O A:VAL65 4.3 14.1 1.0 CD1 A:LEU90 4.3 13.7 1.0 CB A:PRO91 4.4 12.3 1.0 CG2 A:VAL65 4.4 12.5 1.0 O A:ALA63 4.4 11.3 1.0 CA A:THR92 4.5 12.6 1.0 CG A:ASN64 4.7 14.1 1.0 C A:VAL65 4.7 13.1 1.0 N A:ASN64 4.8 10.8 1.0 CA A:LEU90 4.9 12.8 1.0 N A:PRO91 4.9 12.4 1.0

M.E.Pesenti, S.Spinelli, V.Bezirard, L.Briand, J.C.Pernollet, M.Tegoni, C.Cambillau. Queen Bee Pheromone Binding Protein pH Induced Domain-Swapping Favors Pheromone Release To Be Published.