Chlorine in PDB 4dq6: Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630

The structure of Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630, PDB code: 4dq6 was solved by I.G.Shabalin, O.Onopriyenko, M.Kudritska, M.Chruszcz, S.Grimshaw, P.J.Porebski, D.R.Cooper, A.Savchenko, W.F.Anderson, W.Minor, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.426, 56.094, 85.275, 90.00, 99.33, 90.00
R / Rfree (%)	15.3 / 18.6

The binding sites of Chlorine atom in the Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 (pdb code 4dq6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630, PDB code: 4dq6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630


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 Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:24.0 occ:1.00 ND2 A:ASN147 3.0 19.9 0.5 ND2 A:ASN147 3.1 19.8 0.5 ND2 A:ASN145 3.2 24.6 1.0 O A:HOH913 3.3 26.8 0.5 O A:HOH962 3.5 20.6 0.5 CB A:ASN147 3.8 18.4 1.0 CG A:ASN147 3.8 19.8 0.5 CG A:ASN147 3.9 18.6 0.5 CD1 A:LEU143 4.0 18.9 1.0 CG A:ASN145 4.1 25.8 1.0 OD1 A:ASN145 4.2 24.7 1.0 O A:HOH650 4.9 23.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630


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 Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:31.4 occ:1.00 O A:HOH844 3.1 39.4 1.0 O A:HOH680 3.2 29.2 1.0 O A:HOH937 3.3 42.0 1.0 N A:LYS313 3.4 26.4 1.0 C A:MET311 3.4 24.4 1.0 CA A:MET311 3.4 23.6 1.0 CB A:LYS313 3.5 28.5 1.0 N A:PRO312 3.6 24.9 1.0 CD A:PRO312 3.8 26.6 1.0 CD A:LYS313 3.8 34.2 1.0 CG A:LYS313 3.9 32.4 1.0 O A:MET311 4.0 22.3 1.0 CA A:LYS313 4.0 26.4 1.0 CB A:MET311 4.0 23.5 1.0 CD1 A:ILE387 4.1 27.0 1.0 C A:PRO312 4.4 25.9 1.0 CG A:PRO312 4.5 26.6 1.0 CA A:PRO312 4.5 24.9 1.0 O A:ASN310 4.6 25.8 1.0 O A:HOH940 4.7 46.1 1.0 N A:LEU314 4.7 24.7 1.0 N A:MET311 4.7 23.1 1.0 CG A:MET311 4.8 22.9 0.5 CG A:MET311 4.8 24.1 0.5 C A:LYS313 4.8 25.4 1.0 CE A:LYS313 4.9 36.5 1.0 CD2 A:LEU332 4.9 28.3 1.0 CG1 A:ILE387 4.9 25.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630


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 Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:30.0 occ:1.00 O B:HOH1017 3.1 42.7 1.0 O B:HOH701 3.2 31.9 1.0 O B:HOH885 3.2 39.5 1.0 N B:LYS313 3.3 25.1 1.0 CB B:LYS313 3.5 27.9 1.0 C B:MET311 3.5 22.9 1.0 CA B:MET311 3.6 22.4 1.0 CG B:LYS313 3.6 30.8 1.0 N B:PRO312 3.7 23.9 1.0 CD B:PRO312 3.8 25.4 1.0 CD B:LYS313 3.9 33.8 1.0 CA B:LYS313 4.0 25.2 1.0 O B:MET311 4.0 21.8 1.0 CB B:MET311 4.1 22.1 1.0 CD1 B:ILE387 4.2 25.9 1.0 CG B:PRO312 4.3 26.2 1.0 C B:PRO312 4.4 24.0 1.0 CA B:PRO312 4.6 24.3 1.0 N B:LEU314 4.6 22.6 1.0 CD2 B:LEU332 4.6 23.2 1.0 O B:ASN310 4.8 25.2 1.0 C B:LYS313 4.8 24.0 1.0 N B:MET311 4.8 22.3 1.0 CG B:MET311 4.9 23.1 0.5 CG B:MET311 4.9 22.0 0.5 CG1 B:ILE387 4.9 25.7 1.0 CE B:LYS313 5.0 34.9 1.0

I.G.Shabalin, O.Onopriyenko, M.Kudritska, S.Grimshaw, M.Chruszcz, P.J.Porebski, D.R.Cooper, A.Savchenko, W.F.Anderson, W.Minor. Crystal Structures of Putative Aminotransferase From Clostridium Difficile 630 To Be Published.