Chlorine in PDB 3l6t: Crystal Structure of An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain

The structure of Crystal Structure of An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain, PDB code: 3l6t was solved by M.R.Redinbo, R.P.Nash, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.37 / 1.93
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.385, 58.656, 86.532, 90.00, 95.01, 90.00
R / Rfree (%)	16.8 / 20.4

The structure of Crystal Structure of An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Magnesium	(Mg)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain (pdb code 3l6t). 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 An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain, PDB code: 3l6t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain


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 An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl315 b:85.5 occ:1.00 N A:ASN181 3.2 41.0 1.0 O A:HOH450 3.2 57.7 1.0 O2 A:EDO310 3.3 90.0 1.0 O A:HOH334 3.3 96.6 1.0 CG A:ASN181 3.4 43.6 1.0 C2 A:EDO310 3.4 89.8 1.0 O A:HOH418 3.4 38.8 1.0 OD1 A:ASN181 3.5 45.0 1.0 ND2 A:ASN181 3.5 45.8 1.0 O1 A:EDO310 3.5 91.0 1.0 C1 A:EDO310 3.5 91.5 1.0 O A:LEU179 3.6 43.2 1.0 CA A:LYS180 3.9 45.0 1.0 CB A:ASN181 3.9 37.0 1.0 C A:LYS180 4.0 45.2 1.0 CA A:ASN181 4.1 37.7 1.0 OD1 A:ASP182 4.4 52.6 1.0 OH A:TYR83 4.6 36.6 1.0 C A:LEU179 4.6 40.8 1.0 NH1 A:ARG127 4.7 72.3 1.0 N A:LYS180 4.8 40.1 1.0 N A:ASP182 4.8 41.5 1.0 CG A:LYS180 4.9 47.3 1.0 O A:HOH399 4.9 50.5 1.0 C A:ASN181 4.9 37.2 1.0 NH1 A:ARG80 4.9 68.0 1.0 CB A:LYS180 4.9 46.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain


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 An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl316 b:65.3 occ:1.00 O A:LYS111 2.7 24.7 1.0 NH1 A:ARG118 2.8 36.0 0.7 NH2 A:ARG118 3.1 42.0 0.7 O A:HOH335 3.2 50.9 0.5 O A:HOH443 3.3 41.2 1.0 CZ A:ARG118 3.4 41.6 0.7 C A:LYS111 3.5 27.0 1.0 NH2 A:ARG118 3.6 40.5 0.3 CA A:LYS111 3.7 24.5 1.0 N A:ALA115 3.7 25.2 1.0 CB A:LYS111 3.9 27.7 1.0 CB A:ALA114 3.9 25.9 1.0 CB A:ALA115 4.1 27.4 1.0 CA A:ALA115 4.3 25.9 1.0 C A:ALA114 4.3 25.5 1.0 CG A:LYS111 4.4 34.0 1.0 NE A:ARG118 4.5 44.0 0.3 CZ A:ARG118 4.5 43.3 0.3 CA A:ALA114 4.6 26.0 1.0 NE A:ARG118 4.7 45.5 0.7 N A:ALA112 4.7 24.3 1.0 O A:HOH455 5.0 51.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain


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 An N-Terminal Mutant of the Plasmid PCU1 Trai Relaxase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl317 b:73.0 occ:1.00 CB A:VAL16 2.8 49.5 1.0 O A:VAL16 3.0 43.9 1.0 N A:VAL16 3.3 37.5 1.0 CA A:VAL16 3.3 34.4 1.0 C A:VAL16 3.5 38.0 1.0 CG1 A:VAL16 3.7 48.9 1.0 CG2 A:VAL16 3.7 54.0 1.0 O A:HOH386 3.8 48.2 1.0 CB A:PHE164 3.8 31.0 1.0 CG2 A:VAL15 3.8 41.0 1.0 CD1 A:PHE164 3.9 34.3 1.0 CD2 A:PHE147 4.0 26.1 1.0 CB A:HIS162 4.0 28.0 1.0 CE2 A:PHE147 4.1 34.0 1.0 OD2 A:ASP84 4.1 27.2 1.0 CG A:PHE164 4.2 33.2 1.0 C A:VAL15 4.4 38.6 1.0 CG A:ASP84 4.5 29.0 1.0 CG A:HIS162 4.6 27.6 1.0 CZ A:PHE55 4.6 31.2 1.0 N A:GLY17 4.7 35.5 1.0 ND1 A:HIS162 4.7 26.5 1.0 CG A:PHE147 4.8 28.0 1.0 CA A:PHE164 4.9 28.3 1.0 CB A:ASP84 4.9 24.1 1.0 CB A:VAL15 4.9 36.1 1.0 CE1 A:PHE164 4.9 35.3 1.0 CA A:VAL15 4.9 37.7 1.0 OD1 A:ASP84 5.0 29.7 1.0 CZ A:PHE147 5.0 36.4 1.0

R.P.Nash, S.Habibi, Y.Cheng, S.A.Lujan, M.R.Redinbo. The Mechanism and Control of Dna Transfer By the Conjugative Relaxase of Resistance Plasmid PCU1. Nucleic Acids Res. V. 38 5929 2010.
ISSN: ISSN 0305-1048
PubMed: 20448025
DOI: 10.1093/NAR/GKQ303