Chlorine in PDB 3cyz: Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera in Complex with 9-Keto-2(E)-Decenoic Acid at pH 7.0

The structure of Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera in Complex with 9-Keto-2(E)-Decenoic Acid at pH 7.0, PDB code: 3cyz 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)	20.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.285, 75.555, 84.113, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 20

The structure of Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera in Complex with 9-Keto-2(E)-Decenoic Acid at pH 7.0 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera in Complex with 9-Keto-2(E)-Decenoic Acid at pH 7.0 (pdb code 3cyz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera in Complex with 9-Keto-2(E)-Decenoic Acid at pH 7.0, PDB code: 3cyz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera in Complex with 9-Keto-2(E)-Decenoic Acid 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 in Complex with 9-Keto-2(E)-Decenoic Acid at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl120 b:19.8 occ:1.00 O A:HOH202 2.9 27.8 1.0 O A:HOH165 3.0 23.8 1.0 ND1 A:HIS24 3.2 19.0 1.0 CB A:CYS47 3.8 17.0 1.0 SG A:CYS47 3.8 18.4 1.0 CB A:HIS24 4.0 18.7 1.0 CG A:HIS24 4.0 19.3 1.0 CA A:HIS24 4.1 19.8 1.0 CE1 A:HIS24 4.2 18.9 1.0 O A:PRO43 4.3 19.3 1.0 CB A:PRO43 4.3 19.9 1.0 O A:HIS24 4.3 20.8 1.0 O A:HOH239 4.5 33.2 1.0 C A:PRO43 4.5 19.2 1.0 O A:HOH237 4.6 37.0 1.0 C A:HIS24 4.6 20.0 1.0 O A:GLU23 4.6 21.4 1.0 N A:SER44 5.0 20.1 1.0 CA A:PRO43 5.0 19.7 1.0

Chlorine binding site 2 out of 4 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera in Complex with 9-Keto-2(E)-Decenoic Acid 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 in Complex with 9-Keto-2(E)-Decenoic Acid at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl121 b:28.1 occ:1.00 O A:HOH159 2.9 21.1 1.0 O A:HOH246 3.3 34.3 1.0 O A:HOH252 3.3 40.5 1.0 O A:HOH234 3.4 37.8 1.0 CA A:ASP96 3.7 19.0 1.0 O A:HOH261 4.2 34.7 1.0 O A:SER95 4.2 19.8 1.0 N A:ASN97 4.4 17.6 1.0 C A:ASP96 4.4 18.4 1.0 CB A:ASP96 4.5 19.1 1.0 N A:ASP96 4.5 18.7 1.0 O A:HOH181 4.7 42.9 1.0 C A:SER95 4.7 20.5 1.0 O A:HOH166 4.7 25.4 1.0 OD1 A:ASN97 4.7 21.2 1.0 NZ A:LYS100 4.7 18.2 1.0

Chlorine binding site 3 out of 4 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera in Complex with 9-Keto-2(E)-Decenoic Acid 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 in Complex with 9-Keto-2(E)-Decenoic Acid at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl122 b:23.7 occ:1.00 O A:HOH208 2.7 29.4 1.0 O A:HOH168 3.0 27.6 1.0 N A:VAL65 3.2 19.9 1.0 N A:THR92 3.3 19.9 1.0 CA A:PRO91 3.5 21.9 1.0 CB A:PRO91 3.7 22.4 1.0 CG2 A:THR92 3.8 20.5 1.0 CA A:ASN64 3.8 19.2 1.0 OG1 A:THR92 3.9 21.1 1.0 C A:PRO91 3.9 20.6 1.0 O A:ALA63 3.9 18.9 1.0 CB A:VAL65 3.9 19.8 1.0 C A:ASN64 4.0 19.1 1.0 CA A:VAL65 4.1 20.3 1.0 O A:HOH154 4.1 41.4 1.0 CD2 A:LEU90 4.2 20.3 1.0 CB A:THR92 4.2 21.2 1.0 O A:VAL65 4.2 22.4 1.0 CA A:THR92 4.3 20.1 1.0 CG2 A:VAL65 4.3 22.3 1.0 O A:HOH192 4.5 40.6 1.0 CB A:ASN64 4.6 19.1 1.0 C A:VAL65 4.6 21.0 1.0 OD1 A:ASN64 4.7 18.8 1.0 CB A:LEU90 4.7 22.3 1.0 C A:ALA63 4.8 18.7 1.0 N A:ASN64 4.8 18.4 1.0 N A:PRO91 4.8 22.2 1.0 CG A:LEU90 4.8 21.9 1.0 O A:HOH156 5.0 39.1 1.0

Chlorine binding site 4 out of 4 in the Dimeric Crystal Structure of A Pheromone Binding Protein From Apis Mellifera in Complex with 9-Keto-2(E)-Decenoic Acid 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 in Complex with 9-Keto-2(E)-Decenoic Acid at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl120 b:25.7 occ:1.00 O B:HOH195 2.8 27.1 1.0 N B:VAL65 3.1 20.3 1.0 N B:THR92 3.2 17.6 1.0 CA B:PRO91 3.4 18.0 1.0 OG1 B:THR92 3.6 17.6 1.0 CA B:ASN64 3.7 20.6 1.0 CB B:PRO91 3.8 18.3 0.5 C B:PRO91 3.8 18.0 1.0 C B:ASN64 3.9 21.0 1.0 CG2 B:THR92 3.9 17.4 1.0 CB B:VAL65 4.0 20.3 1.0 CA B:VAL65 4.1 20.0 1.0 CB B:THR92 4.1 17.5 1.0 CD2 B:LEU90 4.2 20.7 1.0 CA B:THR92 4.2 17.9 1.0 CB B:ASN64 4.3 21.8 1.0 O B:VAL65 4.3 19.9 1.0 CG2 B:VAL65 4.5 19.1 1.0 O B:ALA63 4.5 20.1 1.0 OD1 B:ASN64 4.6 21.9 0.5 CB B:LEU90 4.6 19.5 1.0 C B:VAL65 4.7 20.7 1.0 N B:PRO91 4.7 18.6 1.0 CG B:LEU90 4.8 21.6 1.0 N B:ASN64 4.9 20.0 1.0 CD1 B:LEU90 4.9 20.9 1.0 CG B:ASN64 4.9 21.3 0.5 CA B:LEU90 4.9 18.9 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