Chlorine in PDB 3h05: The Crystal Structure of A Putative Nicotinate-Nucleotide Adenylyltransferase From Vibrio Parahaemolyticus

The structure of The Crystal Structure of A Putative Nicotinate-Nucleotide Adenylyltransferase From Vibrio Parahaemolyticus, PDB code: 3h05 was solved by A.J.Stein, M.E.Cuff, A.Sather, G.Shackelford, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.60 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.206, 70.722, 130.495, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 21.4

The binding sites of Chlorine atom in the The Crystal Structure of A Putative Nicotinate-Nucleotide Adenylyltransferase From Vibrio Parahaemolyticus (pdb code 3h05). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of A Putative Nicotinate-Nucleotide Adenylyltransferase From Vibrio Parahaemolyticus, PDB code: 3h05:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of A Putative Nicotinate-Nucleotide Adenylyltransferase From Vibrio Parahaemolyticus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of A Putative Nicotinate-Nucleotide Adenylyltransferase From Vibrio Parahaemolyticus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl178 b:32.3 occ:1.00 O A:HOH185 3.1 16.6 1.0 N A:ASN12 3.3 11.2 1.0 O A:HOH256 3.3 20.1 1.0 N A:PHE11 3.5 11.6 1.0 NE2 A:HIS18 3.5 13.4 1.0 CE1 A:HIS18 3.6 13.4 1.0 OG A:SER9 3.8 15.2 1.0 CB A:SER139 3.9 8.2 1.0 CA A:PHE11 3.9 11.8 1.0 CB A:ALA10 4.0 12.7 1.0 C A:PHE11 4.1 11.4 1.0 CA A:ASN12 4.2 11.8 1.0 CB A:ASN12 4.2 11.5 1.0 C A:ALA10 4.2 12.3 1.0 O A:HOH269 4.3 29.7 1.0 O A:PRO13 4.3 11.1 1.0 CA A:ALA10 4.4 12.1 1.0 N A:ALA10 4.4 12.3 1.0 C A:ASN12 4.4 12.0 1.0 OG A:SER139 4.5 9.4 1.0 O A:ASN12 4.6 13.2 1.0 O A:HOH182 4.7 34.7 1.0 O A:HOH287 4.7 17.2 1.0 O A:HOH253 4.8 20.0 1.0 ND1 A:HIS18 4.9 11.9 1.0 CD2 A:HIS18 4.9 13.3 1.0 O A:HOH186 5.0 23.9 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of A Putative Nicotinate-Nucleotide Adenylyltransferase From Vibrio Parahaemolyticus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of A Putative Nicotinate-Nucleotide Adenylyltransferase From Vibrio Parahaemolyticus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl178 b:35.4 occ:1.00 O B:HOH242 2.9 17.2 1.0 OG B:SER139 2.9 4.2 1.0 N B:ASN12 3.2 10.0 1.0 O B:HOH290 3.2 34.8 1.0 CB B:SER139 3.4 7.2 1.0 N B:PHE11 3.4 10.1 1.0 CE1 B:HIS18 3.6 14.4 1.0 NE2 B:HIS18 3.6 14.1 1.0 OG B:SER9 3.7 14.7 1.0 O B:HOH226 3.8 30.1 1.0 CA B:PHE11 3.9 10.3 1.0 CB B:ALA10 3.9 11.2 1.0 CA B:ASN12 4.0 9.8 1.0 C B:PHE11 4.1 10.1 1.0 CB B:ASN12 4.1 9.5 1.0 C B:ALA10 4.1 10.7 1.0 C B:ASN12 4.3 10.9 1.0 CA B:ALA10 4.4 10.5 1.0 N B:ALA10 4.4 10.3 1.0 O B:PRO13 4.4 11.2 1.0 O B:ASN12 4.5 11.6 1.0 O B:HOH293 4.6 41.6 1.0 O B:HOH184 4.6 24.7 1.0 CA B:SER139 4.8 7.2 1.0 ND1 B:HIS18 4.9 12.0 1.0 N B:PRO13 4.9 11.0 1.0 O B:ALA10 5.0 10.8 1.0 CD2 B:HIS18 5.0 14.8 1.0

A.J.Stein, M.E.Cuff, A.Sather, G.Shackelford, A.Joachimiak. The Crystal Structure of A Putative Nicotinate-Nucleotide Adenylyltransferase From Vibrio Parahaemolyticus To Be Published.