Chlorine in PDB 3n79: Pdut C38S Mutant From Salmonella Enterica Typhimurium

The structure of Pdut C38S Mutant From Salmonella Enterica Typhimurium, PDB code: 3n79 was solved by C.S.Crowley, D.Cascio, M.R.Sawaya, T.O.Yeates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.50
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	67.680, 67.680, 61.620, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 21.2

The structure of Pdut C38S Mutant From Salmonella Enterica Typhimurium also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Pdut C38S Mutant From Salmonella Enterica Typhimurium (pdb code 3n79). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pdut C38S Mutant From Salmonella Enterica Typhimurium, PDB code: 3n79:

Chlorine binding site 1 out of 1 in the Pdut C38S Mutant From Salmonella Enterica Typhimurium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pdut C38S Mutant From Salmonella Enterica Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl194 b:34.5 occ:1.00 O A:HOH223 2.7 28.1 1.0 OD2 A:ASP146 2.7 22.3 0.4 OD2 A:ASP146 2.8 22.4 0.6 N A:ASP143 2.8 15.1 1.0 CA A:GLY142 3.3 15.8 1.0 CD A:LYS93 3.4 42.9 1.0 NZ A:LYS93 3.4 49.9 1.0 CB A:ASP143 3.5 21.6 0.5 CG A:ASP146 3.5 17.9 0.4 CB A:ASP146 3.5 15.1 0.6 CB A:ASP146 3.5 15.2 0.4 C A:GLY142 3.6 13.2 1.0 CG A:ASP146 3.6 20.2 0.6 CA A:ASP143 3.8 17.3 0.5 CB A:ASP143 3.8 19.3 0.6 O A:ASN120 3.9 23.5 1.0 CA A:ASP143 3.9 15.3 0.6 CE A:LYS93 4.0 47.3 1.0 CG A:ASP143 4.1 21.4 0.6 C A:ASN120 4.4 20.4 1.0 OD2 A:ASP143 4.4 29.9 0.6 CA A:VAL121 4.5 17.3 1.0 O A:ASP143 4.6 16.1 1.0 OD1 A:ASP143 4.6 24.4 0.6 CG A:LYS93 4.7 37.1 1.0 N A:GLY142 4.7 12.6 1.0 OD1 A:ASP146 4.7 17.8 0.4 N A:VAL121 4.7 14.5 1.0 C A:ASP143 4.7 16.7 1.0 O A:ALA141 4.8 14.2 1.0 CB A:LYS93 4.8 36.9 1.0 O A:GLY142 4.8 15.4 1.0 OD1 A:ASP146 4.8 19.2 0.6 OD1 A:ASN120 4.9 41.1 1.0 CG A:ASP143 4.9 25.2 0.5 CB A:ASN120 5.0 24.6 1.0

C.S.Crowley, D.Cascio, M.R.Sawaya, J.S.Kopstein, T.A.Bobik, T.O.Yeates. Structural Insight Into the Mechanisms of Transport Across the Salmonella Enterica Pdu Microcompartment Shell. J.Biol.Chem. V. 285 37838 2010.
ISSN: ISSN 0021-9258
PubMed: 20870711
DOI: 10.1074/JBC.M110.160580