Chlorine in PDB 9pmn: Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine

The structure of Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine, PDB code: 9pmn was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.19 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.726, 155.942, 79.958, 90, 93.17, 90
R / Rfree (%)	19.3 / 24.7

The binding sites of Chlorine atom in the Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine (pdb code 9pmn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine, PDB code: 9pmn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine


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 Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:57.6 occ:1.00 OD2 A:ASP78 3.8 46.5 1.0 CG A:ASP78 4.1 41.5 1.0 NE A:ARG80 4.3 47.4 1.0 NH2 A:ARG80 4.4 44.4 1.0 CZ A:ARG80 4.5 46.4 1.0 O A:HOH522 4.5 46.5 1.0 CB A:ASP78 4.5 40.9 1.0 OD1 A:ASP78 4.7 39.7 1.0 CB A:ARG80 4.7 34.0 1.0 CD A:ARG80 5.0 44.7 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:56.8 occ:1.00 ND2 A:ASN115 3.2 36.0 1.0 ND2 C:ASN115 3.5 35.3 1.0 CA C:GLY120 3.9 36.7 1.0 N C:GLY120 3.9 34.4 1.0 N A:GLY120 4.0 44.6 1.0 CA A:GLY120 4.1 44.4 1.0 CG A:ASN115 4.2 35.9 1.0 O A:ASN115 4.2 32.5 1.0 O C:ASN115 4.2 33.6 1.0 O A:HOH556 4.3 39.3 1.0 CG C:ASN115 4.4 34.5 1.0 CA A:GLU116 4.5 35.9 1.0 OD1 A:ASN115 4.5 36.0 1.0 CA C:GLU116 4.7 37.9 1.0 C A:ASN115 4.7 34.5 1.0 OD1 C:ASN115 4.7 34.4 1.0 CG2 C:ILE119 4.8 38.1 1.0 CG2 A:ILE119 4.8 37.8 1.0 N A:GLU116 4.8 37.5 1.0 C C:ASN115 4.8 33.8 1.0 CB C:ILE119 4.9 41.2 1.0 CB A:ILE119 4.9 41.5 1.0 C C:ILE119 4.9 33.9 1.0 O C:GLU116 5.0 35.2 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:70.9 occ:1.00 NH1 B:ARG106 3.5 45.2 1.0 NH2 B:ARG106 3.5 43.3 1.0 CZ B:ARG106 4.0 50.3 1.0 CG2 B:THR51 4.3 37.7 1.0 CD2 B:TYR207 4.3 44.7 1.0 CA B:GLY205 4.6 63.1 1.0 CB B:TYR207 4.9 42.5 1.0 N B:ALA206 4.9 67.8 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:54.8 occ:1.00 O B:HOH585 3.2 43.0 1.0 ND2 B:ASN115 3.2 25.9 1.0 ND2 D:ASN115 3.4 31.7 1.0 N D:GLY120 3.7 38.7 1.0 CA D:GLY120 3.7 36.3 1.0 O D:ASN115 4.1 27.8 1.0 O B:HOH545 4.2 34.9 1.0 CG B:ASN115 4.2 28.9 1.0 N B:GLY120 4.2 37.8 1.0 CA B:GLY120 4.2 39.5 1.0 CG D:ASN115 4.3 29.8 1.0 O B:ASN115 4.4 28.0 1.0 OD1 B:ASN115 4.4 25.8 1.0 OD1 D:ASN115 4.5 29.3 1.0 CG2 D:ILE119 4.6 26.6 1.0 CA B:GLU116 4.6 34.8 1.0 CG2 B:ILE119 4.7 30.1 1.0 CB D:ILE119 4.7 27.2 1.0 CA D:GLU116 4.7 42.9 1.0 C D:ILE119 4.7 31.7 1.0 C D:ASN115 4.7 28.6 1.0 C B:ASN115 4.8 26.2 1.0 CB B:ILE119 4.8 42.6 1.0 O D:GLU116 4.9 31.9 1.0 N B:GLU116 5.0 29.5 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:68.8 occ:1.00 NH1 C:ARG106 3.9 58.5 1.0 CG2 C:THR51 4.1 49.1 1.0 O C:HOH517 4.2 40.4 1.0 O C:ALA50 4.4 47.9 1.0 NH2 C:ARG106 4.5 56.6 1.0 CZ C:ARG106 4.7 53.4 1.0 CB C:THR51 4.9 48.6 1.0 CA C:THR51 5.0 42.5 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:52.9 occ:1.00 NH2 D:ARG80 3.5 39.7 1.0 NH1 D:ARG80 3.6 40.8 1.0 CZ D:ARG80 4.0 32.2 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N- Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:66.5 occ:1.00 CG2 D:THR51 3.8 39.3 1.0 NH1 D:ARG106 3.8 57.1 1.0 O D:ALA50 4.1 34.0 1.0 NH2 D:ARG106 4.4 51.8 1.0 CB D:THR51 4.6 39.5 1.0 CZ D:ARG106 4.6 52.9 1.0 CA D:THR51 4.6 41.7 1.0

P.Enayati, S.Lovell, S.Seibold, K.P.Battaile. Crystal Structure of Capsular Polysaccharide Biosynthesis Protein From Bordetella Pertussis in Complex with Nad and Uridine-Diphosphate-N-Acetylgalactosamine To Be Published.