Chlorine in PDB 4nvr: 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica

The structure of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica, PDB code: 4nvr was solved by G.Minasov, Z.Wawrzak, T.Skarina, E.Gordon, J.Stam, K.Kwon, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.63 / 2.22
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.931, 71.380, 90.327, 113.03, 92.41, 90.09
R / Rfree (%)	18.1 / 24.1

The structure of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Chlorine atom in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica (pdb code 4nvr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica, PDB code: 4nvr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:30.8 occ:1.00 NE A:ARG120 3.2 16.7 1.0 CG A:ASP116 3.4 18.0 1.0 C A:ASP116 3.5 15.9 1.0 NH2 A:ARG120 3.5 16.9 1.0 OD1 A:ASP116 3.5 18.5 1.0 CA A:ASP116 3.5 16.0 1.0 OD2 A:ASP116 3.6 20.6 1.0 NH1 A:ARG117 3.6 14.6 1.0 N A:ARG117 3.7 14.9 1.0 CZ A:ARG120 3.8 16.9 1.0 CD A:ARG117 3.9 14.6 1.0 CB A:ASP116 4.0 16.5 1.0 O A:ASP116 4.0 15.9 1.0 CG2 A:ILE141 4.1 19.7 1.0 CD A:ARG120 4.3 16.7 1.0 CA A:ARG117 4.4 15.0 1.0 CZ2 A:TRP162 4.4 18.6 1.0 CZ A:ARG117 4.6 14.8 1.0 NE A:ARG117 4.7 15.1 1.0 N A:ASP116 4.9 16.4 1.0 CG A:ARG117 4.9 15.2 1.0 CG A:ARG120 4.9 17.0 1.0 O A:HOH561 4.9 31.2 1.0

Chlorine binding site 2 out of 2 in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:31.0 occ:1.00 NE B:ARG120 3.1 18.9 1.0 CG B:ASP116 3.4 18.0 1.0 OD1 B:ASP116 3.4 19.1 1.0 C B:ASP116 3.5 15.2 1.0 NH1 B:ARG117 3.5 13.5 1.0 NH2 B:ARG120 3.5 19.8 1.0 CA B:ASP116 3.6 16.5 1.0 N B:ARG117 3.6 14.0 1.0 OD2 B:ASP116 3.7 20.3 1.0 CZ B:ARG120 3.8 19.2 1.0 CD B:ARG117 3.8 13.8 1.0 O B:ASP116 3.9 14.5 1.0 CB B:ASP116 4.1 17.3 1.0 CD B:ARG120 4.1 18.7 1.0 CG2 B:ILE141 4.1 20.0 1.0 CA B:ARG117 4.3 14.2 1.0 CZ B:ARG117 4.4 13.8 1.0 CZ2 B:TRP162 4.5 20.6 1.0 NE B:ARG117 4.5 13.7 1.0 CG B:ARG120 4.7 18.5 1.0 CG B:ARG117 4.8 14.1 1.0 N B:ASP116 5.0 17.5 1.0

G.Minasov, Z.Wawrzak, T.Skarina, E.Gordon, J.Stam, K.Kwon, A.Savchenko, W.F.Anderson. 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica. To Be Published.