Chlorine in PDB 1j1y: Crystal Structure of Paai From Thermus Thermophilus HB8

The structure of Crystal Structure of Paai From Thermus Thermophilus HB8, PDB code: 1j1y was solved by N.Kunishima, M.Sugahara, S.Kuramitsu, S.Yokoyama, M.Miyano, Rikenstructural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.70
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.877, 57.877, 139.607, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 19.3

The structure of Crystal Structure of Paai From Thermus Thermophilus HB8 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Paai From Thermus Thermophilus HB8 (pdb code 1j1y). 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 Paai From Thermus Thermophilus HB8, PDB code: 1j1y:

Chlorine binding site 1 out of 1 in the Crystal Structure of Paai 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 Paai From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:12.5 occ:0.50 CB A:ARG67 3.6 8.3 1.0 NH1 A:ARG67 3.6 12.7 1.0 CD A:ARG67 3.6 7.6 1.0 CG A:ARG67 3.6 7.1 1.0 NH1 B:ARG67 3.6 11.9 1.0 CD B:ARG67 3.7 6.6 1.0 CB B:ARG67 3.7 6.2 1.0 CG B:ARG67 3.8 7.7 1.0 CA A:ARG67 4.5 8.4 1.0 CZ A:ARG67 4.5 10.6 1.0 NE A:ARG67 4.5 9.8 1.0 CZ B:ARG67 4.6 10.8 1.0 NE B:ARG67 4.6 9.4 1.0 CA B:ARG67 4.6 6.5 1.0 O A:CYS66 5.0 11.1 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