Chlorine in PDB 4r73: Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound)

The structure of Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound), PDB code: 4r73 was solved by C.Calmettes, C.Tang, B.Sit, T.F.Moraes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.60 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.530, 95.320, 152.100, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 19.4

The binding sites of Chlorine atom in the Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound) (pdb code 4r73). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound), PDB code: 4r73:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:23.3 occ:1.00 O A:HOH752 2.7 31.8 1.0 N A:ASN12 3.1 12.2 1.0 O A:HOH550 3.1 15.4 1.0 NH2 A:ARG190 3.1 17.0 1.0 ND2 A:ASN12 3.5 30.2 1.0 CB A:ASN12 3.7 15.8 1.0 NH1 A:ARG190 3.8 12.0 1.0 CA A:THR11 3.9 9.5 1.0 CZ A:ARG190 3.9 12.3 1.0 CB A:THR11 3.9 10.7 1.0 C A:THR11 4.0 10.0 1.0 CA A:ASN12 4.0 9.5 1.0 CG A:ASN12 4.0 25.1 1.0 CA B:GLY2 4.1 24.7 1.0 CG2 A:THR11 4.3 8.9 1.0 O B:HOH646 4.5 26.7 1.0 O A:HOH598 4.5 21.9 1.0 O A:HOH623 4.5 22.6 1.0 N B:GLY2 4.5 20.8 1.0 O A:HOH606 4.7 22.2 1.0 O B:HOH721 4.8 32.2 1.0 NE A:ARG34 5.0 22.4 0.5 CD A:ARG34 5.0 16.9 0.5 N A:VAL13 5.0 10.1 1.0

Chlorine binding site 2 out of 4 in the Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:19.7 occ:1.00 N A:ASN244 3.2 7.7 1.0 O A:HOH602 3.4 21.7 1.0 C A:ASN241 3.4 9.3 1.0 CG A:ASN244 3.4 11.3 1.0 CA A:ASN241 3.5 7.8 1.0 OD1 A:ASN244 3.6 14.0 1.0 N A:ASP243 3.6 8.3 1.0 CB A:ASN244 3.6 7.8 1.0 CB A:ASN241 3.7 9.9 1.0 O A:ASN241 3.7 9.9 1.0 N A:LEU242 3.9 8.8 1.0 CB A:ASP243 3.9 6.3 1.0 ND2 A:ASN244 3.9 6.6 1.0 CA A:ASP243 4.0 6.6 1.0 CA A:ASN244 4.0 5.9 1.0 C A:ASP243 4.0 6.9 1.0 OD1 A:ASN241 4.4 14.7 1.0 C A:LEU242 4.4 9.6 1.0 CG A:ASN241 4.5 11.3 1.0 CA A:LEU242 4.8 6.5 1.0 O A:ARG3 4.8 11.1 1.0 CG A:ASP243 4.9 10.5 1.0 N A:ASN241 4.9 8.8 1.0

Chlorine binding site 3 out of 4 in the Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:32.5 occ:1.00 O A:HOH606 2.6 22.2 1.0 N B:ASN244 2.9 13.5 1.0 O A:HOH546 3.1 14.8 1.0 C B:ASN241 3.4 16.6 1.0 CG B:ASN244 3.4 17.5 1.0 N B:ASP243 3.4 14.4 1.0 CA B:ASN241 3.5 17.0 1.0 O B:ASN241 3.5 16.3 1.0 CB B:ASN241 3.6 18.9 1.0 OD1 B:ASN244 3.6 23.2 1.0 CB B:ASN244 3.6 12.3 1.0 CB B:ASP243 3.6 13.1 1.0 O B:HOH646 3.8 26.7 1.0 CA B:ASP243 3.8 12.3 1.0 C B:ASP243 3.8 11.2 1.0 N B:LEU242 3.8 15.0 1.0 CA B:ASN244 3.8 11.6 1.0 ND2 B:ASN244 3.9 14.1 1.0 O A:HOH598 4.0 21.9 1.0 O A:HOH558 4.1 16.9 1.0 C B:LEU242 4.3 13.4 1.0 OD1 B:ASN241 4.4 20.9 1.0 CG B:ASN241 4.5 23.9 1.0 CG B:ASP243 4.6 13.8 1.0 CA B:LEU242 4.7 12.3 1.0 O B:ARG3 4.8 17.1 1.0 O B:HOH698 4.8 30.7 1.0 OD2 B:ASP243 4.8 11.4 1.0 OG A:SER184 4.8 16.2 1.0 N B:ASN241 4.9 18.8 1.0 O B:ASP243 4.9 11.8 1.0

Chlorine binding site 4 out of 4 in the Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Periplasmic Binding Protein Afua From Actinobacillus Pleuropneumoniae (Endogenous Glucose-6-Phosphate and Mannose-6- Phosphate Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:31.1 occ:1.00 O B:HOH539 3.1 15.3 1.0 NH2 B:ARG190 3.2 14.1 1.0 N B:ASN12 3.2 13.6 1.0 NH1 B:ARG190 3.7 12.5 1.0 CB B:ASN12 3.7 17.7 1.0 CZ B:ARG190 3.9 12.1 1.0 CA B:THR11 4.1 9.6 1.0 CA B:ASN12 4.1 14.9 1.0 O B:HOH588 4.1 21.4 1.0 C B:THR11 4.1 10.7 1.0 CB B:THR11 4.2 13.2 1.0 O B:HOH651 4.5 26.8 1.0 CG2 B:THR11 4.6 15.4 1.0 O B:HOH563 4.8 18.8 1.0 CD B:ARG34 4.9 20.8 1.0

B.Sit, S.M.Crowley, K.Bhullar, C.C.Lai, C.Tang, Y.Hooda, C.Calmettes, H.Khambati, C.Ma, J.H.Brumell, A.B.Schryvers, B.A.Vallance, T.F.Moraes. Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of A Bacterial Pathogen. Plos Pathog. V. 11 05107 2015.
ISSN: ISSN 1553-7366
PubMed: 26295949
DOI: 10.1371/JOURNAL.PPAT.1005107