Chlorine in PDB 1wn3: Crystal Structure of TT0310 Protein From Thermus Thermophilus HB8

The structure of Crystal Structure of TT0310 Protein From Thermus Thermophilus HB8, PDB code: 1wn3 was solved by N.Kunishima, M.Sugahara, M.Miyano, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	87.055, 82.454, 59.428, 90.00, 92.49, 90.00
R / Rfree (%)	18 / 20.9

The binding sites of Chlorine atom in the Crystal Structure of TT0310 Protein From Thermus Thermophilus HB8 (pdb code 1wn3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of TT0310 Protein From Thermus Thermophilus HB8, PDB code: 1wn3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of TT0310 Protein From Thermus Thermophilus HB8


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 TT0310 Protein From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2001 b:17.5 occ:1.00 NH1 C:ARG67 3.4 13.3 1.0 CD B:ARG67 3.4 13.1 1.0 NH1 D:ARG67 3.5 13.3 1.0 CD C:ARG67 3.5 11.1 1.0 CD A:ARG67 3.5 11.4 1.0 CB B:ARG67 3.6 11.2 1.0 CB D:ARG67 3.6 10.8 1.0 NH1 B:ARG67 3.6 14.3 1.0 NH1 A:ARG67 3.6 11.8 1.0 CB A:ARG67 3.6 13.1 1.0 CG B:ARG67 3.7 11.2 1.0 CB C:ARG67 3.7 11.7 1.0 CG D:ARG67 3.7 12.6 1.0 CD D:ARG67 3.7 10.5 1.0 CG C:ARG67 3.7 8.4 1.0 CG A:ARG67 3.7 12.4 1.0 CZ C:ARG67 4.4 13.9 1.0 NE C:ARG67 4.4 10.9 1.0 CZ D:ARG67 4.5 14.4 1.0 NE B:ARG67 4.5 13.4 1.0 CA D:ARG67 4.5 11.7 1.0 CZ B:ARG67 4.5 15.3 1.0 CA B:ARG67 4.5 13.4 1.0 NE D:ARG67 4.5 13.7 1.0 CZ A:ARG67 4.5 11.3 1.0 CA A:ARG67 4.6 13.3 1.0 NE A:ARG67 4.6 10.0 1.0 CA C:ARG67 4.6 12.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of TT0310 Protein From Thermus Thermophilus HB8


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 TT0310 Protein From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl2002 b:20.6 occ:1.00 NH1 F:ARG67 3.4 14.5 1.0 CD G:ARG67 3.4 14.6 1.0 CB E:ARG67 3.5 13.8 1.0 CG G:ARG67 3.5 16.4 1.0 NH1 G:ARG67 3.5 13.6 1.0 CD H:ARG67 3.5 13.3 1.0 CB G:ARG67 3.6 14.6 1.0 CD E:ARG67 3.6 12.0 1.0 CG E:ARG67 3.6 13.0 1.0 CD F:ARG67 3.6 12.8 1.0 NH1 E:ARG67 3.6 15.8 1.0 CG F:ARG67 3.6 13.8 1.0 CB H:ARG67 3.6 16.8 1.0 CB F:ARG67 3.7 13.3 1.0 NH1 H:ARG67 3.7 14.2 1.0 CG H:ARG67 3.7 14.1 1.0 CZ F:ARG67 4.3 14.7 1.0 NE G:ARG67 4.4 15.4 1.0 CZ G:ARG67 4.4 15.1 1.0 NE F:ARG67 4.4 13.6 1.0 CA E:ARG67 4.4 15.5 1.0 NE E:ARG67 4.5 16.5 1.0 NE H:ARG67 4.5 16.1 1.0 CZ E:ARG67 4.5 16.4 1.0 CZ H:ARG67 4.5 16.9 1.0 CA G:ARG67 4.5 16.2 1.0 CA F:ARG67 4.6 15.3 1.0 CA H:ARG67 4.6 15.7 1.0 O G:CYS66 4.9 17.0 1.0 O E:CYS66 5.0 16.3 1.0

N.Kunishima, Y.Asada, M.Sugahara, J.Ishijima, Y.Nodake, M.Sugahara, M.Miyano, S.Kuramitsu, S.Yokoyama, M.Sugahara. A Novel Induced-Fit Reaction Mechanism of Asymmetric Hot Dog Thioesterase Paai J.Mol.Biol. V. 352 212 2005.
ISSN: ISSN 0022-2836
PubMed: 16061252
DOI: 10.1016/J.JMB.2005.07.008