Chlorine in PDB 4dgt: Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 Crystallized with Magnesium Formate

The structure of Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 Crystallized with Magnesium Formate, PDB code: 4dgt 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 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.744, 55.624, 79.133, 90.00, 91.25, 90.00
R / Rfree (%)	14.7 / 18.1

The structure of Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 Crystallized with Magnesium Formate also contains other interesting chemical elements:

Magnesium

(Mg)

9 atoms

The binding sites of Chlorine atom in the Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 Crystallized with Magnesium Formate (pdb code 4dgt). 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 Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 Crystallized with Magnesium Formate, PDB code: 4dgt:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 Crystallized with Magnesium Formate


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 Crystallized with Magnesium Formate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:15.8 occ:1.00 ND2 A:ASN147 2.8 12.7 0.5 ND2 A:ASN147 3.2 14.2 0.5 O A:HOH630 3.4 9.9 0.5 ND2 A:ASN145 3.4 12.6 1.0 CB A:ASN147 3.7 13.4 1.0 CG A:ASN147 3.7 13.0 0.5 CD1 A:LEU143 3.9 12.0 1.0 CG A:ASN147 3.9 14.5 0.5 CG A:ASN145 4.3 13.0 1.0 OD1 A:ASN145 4.3 13.3 1.0 CG2 A:ILE149 4.8 10.9 1.0 O A:HOH582 4.8 23.5 1.0 OD1 A:ASN147 4.9 13.9 0.5

Chlorine binding site 2 out of 4 in the Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 Crystallized with Magnesium Formate


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 Crystallized with Magnesium Formate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:22.4 occ:1.00 O A:HOH759 3.0 30.9 1.0 O A:HOH620 3.1 21.7 1.0 N A:LYS313 3.3 16.9 1.0 C A:MET311 3.4 17.0 1.0 CB A:LYS313 3.5 19.7 1.0 CA A:MET311 3.5 16.4 1.0 N A:PRO312 3.5 16.9 1.0 CG A:LYS313 3.6 22.8 1.0 CD A:PRO312 3.6 17.5 1.0 CA A:LYS313 3.9 18.1 1.0 O A:MET311 4.0 15.9 1.0 CD1 A:ILE387 4.0 20.1 1.0 O A:HOH911 4.1 55.1 1.0 CB A:MET311 4.1 16.1 1.0 CD A:LYS313 4.2 26.2 1.0 CG A:PRO312 4.3 18.3 1.0 C A:PRO312 4.3 17.4 1.0 CA A:PRO312 4.4 17.0 1.0 N A:LEU314 4.6 14.8 1.0 N A:MET311 4.7 16.7 1.0 O A:ASN310 4.7 19.3 1.0 C A:LYS313 4.8 16.9 1.0 CE A:LYS313 4.8 28.8 1.0 CG A:MET311 4.9 16.3 0.6 CG1 A:ILE387 4.9 20.2 1.0 CG A:MET311 5.0 16.1 0.4

Chlorine binding site 3 out of 4 in the Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 Crystallized with Magnesium Formate


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 Crystallized with Magnesium Formate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:22.4 occ:1.00 O B:HOH827 2.9 37.0 1.0 O B:HOH745 3.1 32.0 1.0 O B:HOH674 3.1 27.9 1.0 N B:LYS313 3.4 19.9 1.0 C B:MET311 3.5 19.0 1.0 CA B:MET311 3.5 19.1 1.0 N B:PRO312 3.6 19.3 1.0 CB B:LYS313 3.6 23.5 1.0 CD B:PRO312 3.8 20.4 1.0 CG B:LYS313 3.9 26.4 1.0 O B:MET311 4.0 17.4 1.0 CD1 B:ILE387 4.1 23.4 1.0 CA B:LYS313 4.1 21.4 1.0 CB B:MET311 4.1 18.9 1.0 CD2 B:LEU332 4.3 24.6 1.0 CG B:PRO312 4.4 20.8 1.0 C B:PRO312 4.4 20.3 1.0 CD B:LYS313 4.6 29.3 1.0 CA B:PRO312 4.6 19.3 1.0 N B:LEU314 4.7 18.4 1.0 O B:ASN310 4.8 19.7 1.0 N B:MET311 4.8 18.8 1.0 CG1 B:ILE387 4.8 24.0 1.0 C B:LYS313 4.8 19.9 1.0 CG B:MET311 4.9 19.0 0.6 CG B:MET311 5.0 18.9 0.4

Chlorine binding site 4 out of 4 in the Crystal Structure of Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 Crystallized with Magnesium Formate


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 Plp-Bound Putative Aminotransferase From Clostridium Difficile 630 Crystallized with Magnesium Formate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:21.8 occ:1.00 O B:HOH905 2.9 22.7 1.0 O B:HOH700 3.2 25.3 1.0 NZ B:LYS315 3.3 30.9 1.0 CE B:LYS315 3.7 27.9 1.0 CD B:LYS315 4.3 24.4 1.0 O B:GLU144 4.5 14.8 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.