Chlorine in PDB 5kha: Structure of Glutamine-Dependent Nad+ Synthetase From Acinetobacter Baumannii in Complex with Adenosine Diphosphate (Adp)

All present enzymatic activity of Structure of Glutamine-Dependent Nad+ Synthetase From Acinetobacter Baumannii in Complex with Adenosine Diphosphate (Adp):
6.3.1.5; 6.3.5.1;

The structure of Structure of Glutamine-Dependent Nad+ Synthetase From Acinetobacter Baumannii in Complex with Adenosine Diphosphate (Adp), PDB code: 5kha was solved by Seattle Structural 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)	41.24 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.880, 123.750, 73.650, 90.00, 110.93, 90.00
R / Rfree (%)	16.5 / 21

The binding sites of Chlorine atom in the Structure of Glutamine-Dependent Nad+ Synthetase From Acinetobacter Baumannii in Complex with Adenosine Diphosphate (Adp) (pdb code 5kha). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Glutamine-Dependent Nad+ Synthetase From Acinetobacter Baumannii in Complex with Adenosine Diphosphate (Adp), PDB code: 5kha:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Glutamine-Dependent Nad+ Synthetase From Acinetobacter Baumannii in Complex with Adenosine Diphosphate (Adp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Glutamine-Dependent Nad+ Synthetase From Acinetobacter Baumannii in Complex with Adenosine Diphosphate (Adp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:53.8 occ:1.00 OG A:SER173 3.2 13.7 1.0 NZ A:LYS179 3.2 24.2 1.0 O A:HOH748 3.5 27.0 1.0 CB A:SER173 3.8 14.2 1.0 CE A:LYS179 3.8 19.9 1.0 O A:HOH729 3.8 18.3 1.0 CA A:SER173 4.1 15.4 1.0 SG A:CYS147 4.2 27.4 1.0 CZ A:PHE120 4.3 25.6 1.0 CD A:PRO174 4.3 17.8 1.0 NE1 A:TRP151 4.5 27.4 1.0 C A:SER173 4.9 13.8 1.0 N A:PRO174 4.9 17.9 1.0 CE2 A:PHE120 4.9 19.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Glutamine-Dependent Nad+ Synthetase From Acinetobacter Baumannii in Complex with Adenosine Diphosphate (Adp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Glutamine-Dependent Nad+ Synthetase From Acinetobacter Baumannii in Complex with Adenosine Diphosphate (Adp) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:47.5 occ:1.00 NZ B:LYS179 3.0 26.5 1.0 O B:HOH818 3.2 39.1 1.0 OG B:SER173 3.2 17.8 1.0 CE B:LYS179 3.6 23.7 1.0 CB B:SER173 3.9 24.7 1.0 CZ B:PHE120 4.2 21.1 1.0 CA B:SER173 4.2 20.8 1.0 O B:HOH723 4.2 28.1 1.0 CD B:PRO174 4.3 20.2 1.0 SG B:CYS147 4.5 30.2 1.0 CE2 B:PHE120 4.7 22.8 1.0 NE1 B:TRP151 4.9 36.9 1.0 N B:PRO174 4.9 22.0 1.0 C B:SER173 4.9 18.6 1.0

J.Abendroth, S.L.Delker, D.D.Lorimer, T.E.Edwards. Structure of Glutamine-Dependent Nad+ Synthetase From Acinetobacter Baumannii in Complex with Adenosine Diphosphate (Adp) To Be Published.