Chlorine in PDB 6bb9: The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2

All present enzymatic activity of The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2:
4.1.3.38;

The structure of The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2, PDB code: 6bb9 was solved by K.Tan, M.Makowska-Grzyska, B.Nocek, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.98 / 2.28
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	87.250, 87.250, 308.949, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 22.7

The binding sites of Chlorine atom in the The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2 (pdb code 6bb9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2, PDB code: 6bb9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:90.4 occ:1.00 C5 A:MES301 3.5 75.9 1.0 NZ A:LYS140 4.0 63.7 1.0 O A:ALA176 4.1 46.5 1.0 O A:HOH420 4.2 44.6 1.0 C6 A:MES301 4.2 65.7 1.0 ND2 A:ASN236 4.2 38.0 1.0 CE A:LYS140 4.3 61.5 1.0 CB A:ALA176 4.4 40.5 1.0 CG A:ASN236 4.7 41.9 1.0 N4 A:MES301 4.8 72.2 1.0 CB A:THR28 4.8 39.1 1.0 OG1 A:THR28 4.9 43.0 1.0 CD1 A:LEU238 4.9 49.6 1.0 CB A:ASN236 4.9 37.2 1.0 O3S A:MES301 4.9 44.2 1.0 C A:ALA176 5.0 41.8 1.0

Chlorine binding site 2 out of 3 in the The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:0.1 occ:1.00 ND2 A:ASN198 4.0 49.6 1.0 CA A:GLY138 4.0 37.2 1.0 CB A:ASN198 4.1 39.0 1.0 O A:GLY138 4.1 38.0 1.0 C A:GLY138 4.2 43.7 1.0 O A:ALA137 4.3 36.1 1.0 CG A:ASN198 4.6 46.2 1.0 CD2 A:LEU139 4.8 35.1 1.0 N A:LEU139 4.9 42.5 1.0 CG1 A:VAL48 4.9 46.2 1.0

Chlorine binding site 3 out of 3 in the The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:96.8 occ:1.00 C3 B:MES301 3.4 0.7 1.0 NZ B:LYS140 3.9 60.9 1.0 C2 B:MES301 4.1 0.3 1.0 CE B:LYS140 4.4 59.7 1.0 O B:ALA176 4.5 60.1 1.0 N4 B:MES301 4.5 0.1 1.0 ND2 B:ASN236 4.5 60.4 1.0 C7 B:MES301 4.6 94.3 1.0 OG1 B:THR28 4.6 65.5 1.0 CB B:ALA176 4.6 54.3 1.0 CB B:THR28 4.6 59.2 1.0 CG2 B:THR28 4.9 64.8 1.0

K.Tan, M.Makowska-Grzyska, B.Nocek, A.Joachimiak. The Crystal Structure of 4-Amino-4-Deoxychorismate Lyase From Salmonella Typhimurium LT2 To Be Published.