Chlorine in PDB 3g0t: Crystal Structure of Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution

The structure of Crystal Structure of Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution, PDB code: 3g0t was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.40 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	220.440, 54.970, 81.154, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 17.1

The structure of Crystal Structure of Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution (pdb code 3g0t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution, PDB code: 3g0t:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution


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 Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl438 b:35.0 occ:0.50 CL A:CL438 0.0 35.0 0.5 CL A:CL438 1.8 51.5 0.5 NH1 A:ARG150 3.2 18.7 1.0 CD A:ARG150 3.6 16.0 1.0 CA A:LEU147 3.8 13.9 1.0 CD1 A:LEU147 3.8 15.8 1.0 CB A:LEU147 3.9 13.5 1.0 N A:LEU147 4.2 12.2 1.0 CZ A:ARG150 4.2 19.2 1.0 NE A:ARG150 4.4 15.6 1.0 CG A:LEU147 4.5 16.5 1.0 C A:LYS146 4.6 12.3 1.0 CB A:ARG150 4.7 12.2 1.0 O A:HOH811 4.7 33.8 1.0 CG A:ARG150 4.8 13.9 1.0 O A:LYS146 4.8 13.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution


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 Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl438 b:51.5 occ:0.50 CL A:CL438 0.0 51.5 0.5 CL A:CL438 1.8 35.0 0.5 O A:HOH811 3.3 33.8 1.0 CD A:ARG150 3.8 16.0 1.0 NH1 A:ARG150 4.0 18.7 1.0 CB A:LYS146 4.1 14.7 1.0 O A:LYS146 4.2 13.2 1.0 C A:LYS146 4.2 12.3 1.0 N A:LEU147 4.2 12.2 1.0 CA A:LEU147 4.4 13.9 1.0 CB A:ARG150 4.5 12.2 1.0 O A:HOH474 4.5 43.8 1.0 O A:HOH1154 4.5 32.9 1.0 NE A:ARG150 4.7 15.6 1.0 CG A:ARG150 4.7 13.9 1.0 O B:HOH820 4.8 32.2 1.0 CZ A:ARG150 4.8 19.2 1.0 CA A:LYS146 4.8 13.4 1.0 CZ A:PHE156 4.9 16.5 1.0 CB A:LEU147 4.9 13.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution


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 Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl438 b:55.1 occ:0.50 CL B:CL438 0.0 55.1 0.5 CL B:CL438 1.6 35.5 0.5 O A:HOH1050 3.4 31.8 1.0 CB B:LYS146 3.9 13.3 1.0 N B:LEU147 3.9 12.2 1.0 C B:LYS146 3.9 10.6 1.0 CD B:ARG150 4.0 14.7 1.0 O B:LYS146 4.1 11.7 1.0 NH1 B:ARG150 4.1 15.6 1.0 CA B:LEU147 4.2 12.3 1.0 O B:HOH719 4.4 37.5 1.0 CA B:LYS146 4.5 11.9 1.0 CB B:ARG150 4.6 10.5 1.0 O B:HOH1071 4.6 29.1 0.5 ND2 B:ASN143 4.6 28.8 1.0 CZ B:PHE156 4.7 15.9 1.0 CB B:LEU147 4.7 13.1 1.0 O B:HOH818 4.7 36.9 1.0 OD1 B:ASN143 4.9 35.3 1.0 CG B:ARG150 4.9 13.3 1.0 NE B:ARG150 5.0 15.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution


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 Putative Aspartate Aminotransferase (NP_905498.1) From Porphyromonas Gingivalis W83 at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl438 b:35.5 occ:0.50 CL B:CL438 0.0 35.5 0.5 CL B:CL438 1.6 55.1 0.5 NH1 B:ARG150 3.2 15.6 1.0 CD B:ARG150 3.5 14.7 1.0 CA B:LEU147 3.8 12.3 1.0 CD1 B:LEU147 3.9 15.8 1.0 CB B:LEU147 3.9 13.1 1.0 N B:LEU147 4.1 12.2 1.0 CZ B:ARG150 4.2 15.1 1.0 NE B:ARG150 4.3 15.6 1.0 O A:HOH1050 4.4 31.8 1.0 CG B:LEU147 4.5 16.4 1.0 C B:LYS146 4.5 10.6 1.0 CB B:ARG150 4.6 10.5 1.0 CG B:ARG150 4.7 13.3 1.0 O B:LYS146 4.7 11.7 1.0 OD1 B:ASN143 4.8 35.3 1.0

N.M.Fleischman, D.Das, A.Kumar, Q.Xu, H.J.Chiu, L.Jaroszewski, M.W.Knuth, H.E.Klock, M.D.Miller, M.A.Elsliger, A.Godzik, S.A.Lesley, A.M.Deacon, I.A.Wilson, M.D.Toney. Molecular Characterization of Novel Pyridoxal-5'-Phosphate-Dependent Enzymes From the Human Microbiome. Protein Sci. V. 23 1060 2014.
ISSN: ISSN 0961-8368
PubMed: 24888348
DOI: 10.1002/PRO.2493