Chlorine in PDB 2fe1: Crystal Structure of PAE0151 From Pyrobaculum Aerophilum

The structure of Crystal Structure of PAE0151 From Pyrobaculum Aerophilum, PDB code: 2fe1 was solved by R.D.Bunker, E.N.Baker, V.L.Arcus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.63 / 2.20
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	72.343, 72.343, 96.803, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 22.9

The structure of Crystal Structure of PAE0151 From Pyrobaculum Aerophilum also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of PAE0151 From Pyrobaculum Aerophilum (pdb code 2fe1). 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 PAE0151 From Pyrobaculum Aerophilum, PDB code: 2fe1:

Chlorine binding site 1 out of 1 in the Crystal Structure of PAE0151 From Pyrobaculum Aerophilum


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 PAE0151 From Pyrobaculum Aerophilum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:39.4 occ:1.00 NH2 A:ARG53 3.0 20.5 1.0 NE A:ARG53 3.2 16.9 1.0 NH1 A:ARG52 3.5 25.8 1.0 CZ A:ARG53 3.5 19.5 1.0 CG A:LYS49 3.6 21.3 1.0 CD A:ARG52 4.0 20.1 1.0 CB A:LYS49 4.1 18.6 1.0 CD A:LYS49 4.2 24.2 1.0 CE A:LYS49 4.3 32.3 1.0 CD A:ARG53 4.4 15.3 1.0 CG A:ARG52 4.4 16.2 1.0 CG A:ARG53 4.5 15.2 1.0 CA A:LYS49 4.5 18.7 1.0 CZ A:ARG52 4.6 26.1 1.0 NE A:ARG52 4.8 23.4 1.0 NH1 A:ARG53 4.8 15.3 1.0 O A:LYS49 4.9 17.7 1.0 O A:HOH350 4.9 34.8 1.0

R.D.Bunker, J.L.Mckenzie, E.N.Baker, V.L.Arcus. Crystal Structure of PAE0151 From Pyrobaculum Aerophilum, A Pin-Domain (Vapc) Protein From A Toxin-Antitoxin Operon. Proteins V. 72 510 2008.
ISSN: ISSN 0887-3585
PubMed: 18398909
DOI: 10.1002/PROT.22048