Chlorine in PDB 3cz2: Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0

The structure of Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0, PDB code: 3cz2 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)	35.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.862, 75.513, 84.307, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 27.8

The binding sites of Chlorine atom in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0 (pdb code 3cz2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0, PDB code: 3cz2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl120 b:22.6 occ:1.00 N A:THR92 3.2 12.2 1.0 N A:VAL65 3.2 15.3 1.0 CG2 A:THR92 3.5 10.9 1.0 CA A:PRO91 3.6 13.1 1.0 CB A:PRO91 3.7 12.8 1.0 CA A:ASN64 3.8 14.7 1.0 C A:PRO91 3.9 12.6 1.0 OG1 A:THR92 3.9 13.2 1.0 O A:ALA63 3.9 14.8 1.0 C A:ASN64 4.0 15.2 1.0 CB A:VAL65 4.0 15.4 1.0 CB A:THR92 4.1 12.1 1.0 CA A:VAL65 4.1 15.3 1.0 CA A:THR92 4.2 12.0 1.0 O A:VAL65 4.3 15.8 1.0 OD1 A:ASN64 4.3 13.8 1.0 CD2 A:LEU90 4.4 12.9 1.0 CG2 A:VAL65 4.5 13.4 1.0 CB A:ASN64 4.6 14.7 1.0 C A:ALA63 4.7 14.4 1.0 N A:ASN64 4.7 14.8 1.0 C A:VAL65 4.7 15.8 1.0 N A:PRO91 4.9 13.1 1.0 CG A:ASN64 4.9 14.2 1.0 CB A:LEU90 4.9 13.7 1.0

Chlorine binding site 2 out of 7 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl121 b:35.0 occ:1.00 CA A:ASP96 3.7 10.7 1.0 O A:SER95 4.1 10.1 1.0 N A:ASN97 4.3 10.1 1.0 C A:ASP96 4.3 10.4 1.0 N A:ASP96 4.4 10.4 1.0 CB A:ASP96 4.5 11.0 1.0 C A:SER95 4.6 10.3 1.0 NZ A:LYS100 4.7 6.8 1.0 OD1 A:ASN97 4.9 9.8 1.0

Chlorine binding site 3 out of 7 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl120 b:40.2 occ:1.00 N B:GLY94 3.4 10.5 1.0 CA B:SER93 3.5 10.8 1.0 O B:GLY94 3.5 9.9 1.0 CB B:SER93 3.7 11.0 1.0 CE B:LYS100 3.8 9.1 1.0 C B:SER93 3.9 10.6 1.0 NZ B:LYS100 4.2 7.5 1.0 C B:GLY94 4.4 10.2 1.0 CA B:GLY94 4.4 10.0 1.0 O B:THR92 4.5 9.5 1.0 N B:SER93 4.7 11.0 1.0 OG B:SER93 4.9 11.6 1.0 CD B:LYS100 5.0 9.1 1.0

Chlorine binding site 4 out of 7 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl121 b:25.3 occ:1.00 N B:THR92 3.1 11.5 1.0 N B:VAL65 3.1 15.9 1.0 CA B:PRO91 3.3 12.5 1.0 CB B:PRO91 3.6 12.3 1.0 CA B:ASN64 3.7 15.9 1.0 C B:PRO91 3.7 11.9 1.0 OG1 B:THR92 3.7 11.5 1.0 CG2 B:THR92 3.9 10.3 1.0 C B:ASN64 3.9 16.1 1.0 CD2 B:LEU90 4.1 12.2 1.0 CA B:VAL65 4.1 15.8 1.0 CB B:VAL65 4.1 15.6 1.0 CB B:THR92 4.2 10.7 1.0 CA B:THR92 4.2 11.1 1.0 CB B:ASN64 4.2 15.9 1.0 OD1 B:ASN64 4.3 19.2 1.0 CG2 B:VAL65 4.3 15.5 1.0 O B:VAL65 4.4 16.1 1.0 CB B:LEU90 4.5 13.5 1.0 O B:ALA63 4.5 15.9 1.0 N B:PRO91 4.6 12.6 1.0 CG B:LEU90 4.7 14.0 1.0 C B:VAL65 4.8 16.3 1.0 CD1 B:LEU90 4.8 13.8 1.0 CG B:ASN64 4.8 16.2 1.0 CA B:LEU90 4.9 13.5 1.0 N B:ASN64 4.9 15.8 1.0 O B:PRO91 4.9 11.5 1.0

Chlorine binding site 5 out of 7 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl122 b:33.2 occ:1.00 OG B:SER44 3.0 12.2 1.0 N B:SER44 3.2 12.8 1.0 CB B:SER44 3.5 12.7 1.0 N B:PRO43 3.8 14.0 1.0 CB B:GLU42 3.8 15.5 1.0 CD B:PRO43 3.9 14.1 1.0 C B:GLU42 3.9 14.6 1.0 CA B:SER44 4.0 12.9 1.0 CA B:GLU42 4.2 15.2 1.0 C B:PRO43 4.2 13.1 1.0 CA B:PRO43 4.3 13.8 1.0 CB B:PRO43 4.4 13.7 1.0 CG B:PRO43 4.5 14.3 1.0 CG B:GLU42 4.5 17.3 1.0 O B:GLU42 4.5 14.5 1.0 OE1 B:GLU42 4.8 22.7 1.0

Chlorine binding site 6 out of 7 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl123 b:40.0 occ:1.00 O B:LYS100 2.8 11.0 1.0 N B:SER93 3.2 11.0 1.0 N B:LEU104 3.3 11.5 1.0 CA B:THR92 3.3 11.1 1.0 CB B:THR92 3.5 10.7 1.0 CA B:LEU104 3.6 11.6 1.0 CB B:LEU104 3.6 11.7 1.0 O B:SER93 3.7 10.9 1.0 CB B:ASN103 3.7 10.0 1.0 C B:ASN103 3.8 10.8 1.0 C B:THR92 3.8 10.7 1.0 CG2 B:THR92 3.8 10.3 1.0 C B:LYS100 3.8 10.8 1.0 CA B:LYS100 4.2 10.7 1.0 CA B:ASN103 4.3 10.2 1.0 CA B:SER93 4.3 10.8 1.0 C B:SER93 4.4 10.6 1.0 O B:ASN103 4.4 10.6 1.0 O B:CYS89 4.5 14.4 1.0 N B:THR92 4.6 11.5 1.0 CB B:LYS100 4.7 10.6 1.0 OG B:SER93 4.8 11.6 1.0 OG1 B:THR92 4.8 11.5 1.0 CG B:LEU104 4.8 11.4 1.0 CD1 B:LEU104 4.8 9.4 1.0 N B:ASN103 4.9 10.6 1.0 O B:PRO91 4.9 11.5 1.0 CG B:ASN103 4.9 8.6 1.0

Chlorine binding site 7 out of 7 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl124 b:42.9 occ:1.00 O B:PHE117 4.3 13.9 1.0 CG1 B:VAL34 4.8 18.2 1.0 CZ2 B:TRP116 4.8 10.0 1.0 CA B:VAL118 4.9 12.6 1.0

M.E.Pesenti, S.Spinelli, V.Bezirard, L.Briand, J.C.Pernollet, V.Campanacci, M.Tegoni, C.Cambillau. Queen Bee Pheromone Binding Protein pH-Induced Domain Swapping Favors Pheromone Release J.Mol.Biol. V. 390 981 2009.
ISSN: ISSN 0022-2836
PubMed: 19481550
DOI: 10.1016/J.JMB.2009.05.067