Chlorine in PDB 3n9b: Crystal Structure of the P. Aeruginosa Ligd Phosphoesterase Domain

The structure of Crystal Structure of the P. Aeruginosa Ligd Phosphoesterase Domain, PDB code: 3n9b was solved by S.Shuman, P.Nair, P.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.40 / 1.92
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.583, 45.550, 53.384, 102.32, 109.43, 104.59
R / Rfree (%)	14.7 / 19.9

The structure of Crystal Structure of the P. Aeruginosa Ligd Phosphoesterase Domain also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Yttrium	(Y)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of the P. Aeruginosa Ligd Phosphoesterase Domain (pdb code 3n9b). 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 Crystal Structure of the P. Aeruginosa Ligd Phosphoesterase Domain, PDB code: 3n9b:

Chlorine binding site 1 out of 1 in the Crystal Structure of the P. Aeruginosa Ligd Phosphoesterase 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 the P. Aeruginosa Ligd Phosphoesterase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5 b:51.3 occ:1.00 NH2 A:ARG140 3.2 19.5 1.0 NH1 A:ARG140 3.7 24.2 1.0 O B:HOH226 3.8 25.7 1.0 CG B:ARG140 3.8 14.8 1.0 CZ A:ARG140 3.9 28.1 1.0 CB B:ALA131 3.9 17.3 1.0 O A:HOH253 4.1 43.7 1.0 CD B:ARG140 4.2 25.2 1.0 NH1 B:ARG140 4.3 42.0 1.0 O A:LYS161 4.8 20.2 1.0

P.A.Nair, P.Smith, S.Shuman. Structure of Bacterial Ligd 3'-Phosphoesterase Unveils A Dna Repair Superfamily Proc.Natl.Acad.Sci.Usa V. 107 12822 2010.
ISSN: ISSN 0027-8424
PubMed: 20616014
DOI: 10.1073/PNAS.1005830107